2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide

C195H166N5OS- — CID 160869945

IUPAC2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)c1-2.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.OS.[3H-].c1cc2ccc3ccc(-c4ccc5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5c4)c4ccc(c1)c2c34
InChIInChI=1S/C57H63N.C54H44N2.C42H32N2.C42H24.H2OS.H/c1-52(2,3)34-23-26-40-44(29-34)56(12,13)43-21-18-22-48(50(40)43)58(37-25-28-39-38-19-16-17-20-42(38)55(10,11)46(39)33-37)49-32-36(54(7,8)9)31-47-51(49)41-27-24-35(53(4,5)6)30-45(41)57(47,14)15;1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28;1-3-26-9-11-30-15-19-35(37-21-17-28(5-1)39(26)41(30)37)32-13-7-25-8-14-33(24-34(25)23-32)36-20-16-31-12-10-27-4-2-6-29-18-22-38(36)42(31)40(27)29;1-2;/h16-33H,1-15H3;5-36H,1-4H3;5-24H,1-4H3;1-24H;1-2H;/q;;;;;-1/i;;;;;1+2
InChIKeySLPXWQRVSPXNSK-FIXKXVDVSA-N
MW2629.58 g/mol
LogP54.07
Rot. Bonds14

About 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide

2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide (PubChem CID 160869945) has the molecular formula C195H166N5OS- and a molecular weight of 2629.58 g/mol. Its IUPAC name is 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide.

Molecular Properties

Compound Name2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide
PubChem CID160869945
Molecular FormulaC195H166N5OS-
Molecular Weight2629.58 g/mol
Exact Mass2627.29
IUPAC Name2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)c1-2.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.OS.[3H-].c1cc2ccc3ccc(-c4ccc5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5c4)c4ccc(c1)c2c34
InChIInChI=1S/C57H63N.C54H44N2.C42H32N2.C42H24.H2OS.H/c1-52(2,3)34-23-26-40-44(29-34)56(12,13)43-21-18-22-48(50(40)43)58(37-25-28-39-38-19-16-17-20-42(38)55(10,11)46(39)33-37)49-32-36(54(7,8)9)31-47-51(49)41-27-24-35(53(4,5)6)30-45(41)57(47,14)15;1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28;1-3-26-9-11-30-15-19-35(37-21-17-28(5-1)39(26)41(30)37)32-13-7-25-8-14-33(24-34(25)23-32)36-20-16-31-12-10-27-4-2-6-29-18-22-38(36)42(31)40(27)29;1-2;/h16-33H,1-15H3;5-36H,1-4H3;5-24H,1-4H3;1-24H;1-2H;/q;;;;;-1/i;;;;;1+2
InChIKeySLPXWQRVSPXNSK-FIXKXVDVSA-N
XLogP54.07
TPSA55.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002629.58
LogP ≤ 554.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide with MolForge

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Related Compounds

2,7-ditert-butyl-N-[3-[7-[3-[(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-naphthalen-2-ylamino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine;N-[3-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-2,5-dimethylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[7-[3-(N-(9,9-dimethylfluoren-2-yl)-2,4,6-trimethylanilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(2,4,6-trimethylphenyl)fluoren-2-amine
CID 159539595
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
2-tert-butyl-7-[7-[7-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,9,9-trimethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluorene;2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-(3-methyl-6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluorene;7-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 158840573
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N,10-pentanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159526206
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159065491
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,10-dicyclohexyl-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(4-tert-butylphenyl)-9,10-dicyclohexylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine
CID 162028045
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 159307663
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide?
The IUPAC name of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide (CID 160869945) is 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide.
What is the SMILES notation for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide?
The canonical SMILES for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)c1-2.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.OS.[3H-].c1cc2ccc3ccc(-c4ccc5ccc(-c6ccc7ccc8cccc9ccc6c7c89)cc5c4)c4ccc(c1)c2c34.
What is the InChIKey of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide?
The InChIKey is SLPXWQRVSPXNSK-FIXKXVDVSA-N. The full InChI is InChI=1S/C57H63N.C54H44N2.C42H32N2.C42H24.H2OS.H/c1-52(2,3)34-23-26-40-44(29-34)56(12,13)43-21-18-22-48(50(40)43)58(37-25-28-39-38-19-16-17-20-42(38)55(10,11)46(39)33-37)49-32-36(54(7,8)9)31-47-51(49)41-27-24-35(53(4,5)6)30-45(41)57(47,14)15;1-53(2)49-21-13-11-19-45(49)47-33-31-43(35-51(47)53)55(39-15-7-5-8-16-39)41-27-23-37(24-28-41)38-25-29-42(30-26-38)56(40-17-9-6-10-18-40)44-32-34-48-46-20-12-14-22-50(46)54(3,4)52(48)36-44;1-41(2)33-11-7-5-9-29(33)31-19-15-27(23-35(31)41)37-21-17-25-13-14-26-18-22-38(44-40(26)39(25)43-37)28-16-20-32-30-10-6-8-12-34(30)42(3,4)36(32)24-28;1-3-26-9-11-30-15-19-35(37-21-17-28(5-1)39(26)41(30)37)32-13-7-25-8-14-33(24-34(25)23-32)36-20-16-31-12-10-27-4-2-6-29-18-22-38(36)42(31)40(27)29;1-2;/h16-33H,1-15H3;5-36H,1-4H3;5-24H,1-4H3;1-24H;1-2H;/q;;;;;-1/i;;;;;1+2.
What are the key properties of 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide?
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide has a molecular weight of 2629.58 g/mol, XLogP of 54.07, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,7-ditert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-4-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-4-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1-(7-pyren-1-ylnaphthalen-2-yl)pyrene;sulfanol;tritide is sourced from PubChem (CID 160869945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).