1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine

C199H154N10 — CID 159581184

IUPAC1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc5ccc2c3c54)cc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6cc(N(c7ccccc7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc6c5)cc43)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)cc2)cc1
InChIInChI=1S/C67H48N4.C48H44N2.C44H32N2.C40H30N2/c1-67(2)61-27-15-12-24-55(61)56-37-34-52(42-62(56)67)71-64-29-17-14-26-58(64)60-39-36-54(44-66(60)71)69(48-20-8-4-9-21-48)51-33-31-45-40-50(32-30-46(45)41-51)68(47-18-6-3-7-19-47)53-35-38-59-57-25-13-16-28-63(57)70(65(59)43-53)49-22-10-5-11-23-49;1-47(2,3)35-21-25-39(26-22-35)49(37-13-9-7-10-14-37)43-31-19-33-18-30-42-44(32-20-34-17-29-41(43)45(33)46(34)42)50(38-15-11-8-12-16-38)40-27-23-36(24-28-40)48(4,5)6;1-5-17-33(18-6-1)45(34-19-7-2-8-20-34)43-31-29-39(37-25-13-15-27-41(37)43)40-30-32-44(42-28-16-14-26-38(40)42)46(35-21-9-3-10-22-35)36-23-11-4-12-24-36;1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-26-23-31(24-27-39)32-21-22-34-30-40(28-25-33(34)29-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h3-44H,1-2H3;7-32H,1-6H3;1-32H;1-30H
InChIKeyMJAPUEOWAUIUQC-UHFFFAOYSA-N
MW2685.49 g/mol
LogP56.44
Rot. Bonds28

About 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine

1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine (PubChem CID 159581184) has the molecular formula C199H154N10 and a molecular weight of 2685.49 g/mol. Its IUPAC name is 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine
PubChem CID159581184
Molecular FormulaC199H154N10
Molecular Weight2685.49 g/mol
Exact Mass2683.24
IUPAC Name1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc5ccc2c3c54)cc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6cc(N(c7ccccc7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc6c5)cc43)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)cc2)cc1
InChIInChI=1S/C67H48N4.C48H44N2.C44H32N2.C40H30N2/c1-67(2)61-27-15-12-24-55(61)56-37-34-52(42-62(56)67)71-64-29-17-14-26-58(64)60-39-36-54(44-66(60)71)69(48-20-8-4-9-21-48)51-33-31-45-40-50(32-30-46(45)41-51)68(47-18-6-3-7-19-47)53-35-38-59-57-25-13-16-28-63(57)70(65(59)43-53)49-22-10-5-11-23-49;1-47(2,3)35-21-25-39(26-22-35)49(37-13-9-7-10-14-37)43-31-19-33-18-30-42-44(32-20-34-17-29-41(43)45(33)46(34)42)50(38-15-11-8-12-16-38)40-27-23-36(24-28-40)48(4,5)6;1-5-17-33(18-6-1)45(34-19-7-2-8-20-34)43-31-29-39(37-25-13-15-27-41(37)43)40-30-32-44(42-28-16-14-26-38(40)42)46(35-21-9-3-10-22-35)36-23-11-4-12-24-36;1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-26-23-31(24-27-39)32-21-22-34-30-40(28-25-33(34)29-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h3-44H,1-2H3;7-32H,1-6H3;1-32H;1-30H
InChIKeyMJAPUEOWAUIUQC-UHFFFAOYSA-N
XLogP56.44
TPSA35.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms209
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002685.49
LogP ≤ 556.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine with MolForge

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Related Compounds

3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 159654715
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-bis(9,9-dimethylfluoren-2-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573299
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)fluoren-2-amine;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine
CID 161349571
6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 139500760
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 126738644
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
7-carbazol-9-yl-9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 71038403
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
N,N-bis(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-amine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;7-carbazol-9-yl-N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 160605964

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine?
The IUPAC name of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine (CID 159581184) is 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine.
What is the SMILES notation for 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine?
The canonical SMILES for 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc5ccc2c3c54)cc1.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6cc(N(c7ccccc7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc6c5)cc43)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc(N(c5ccccc5)c5ccccc5)ccc4c3)cc2)cc1.
What is the InChIKey of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine?
The InChIKey is MJAPUEOWAUIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N4.C48H44N2.C44H32N2.C40H30N2/c1-67(2)61-27-15-12-24-55(61)56-37-34-52(42-62(56)67)71-64-29-17-14-26-58(64)60-39-36-54(44-66(60)71)69(48-20-8-4-9-21-48)51-33-31-45-40-50(32-30-46(45)41-51)68(47-18-6-3-7-19-47)53-35-38-59-57-25-13-16-28-63(57)70(65(59)43-53)49-22-10-5-11-23-49;1-47(2,3)35-21-25-39(26-22-35)49(37-13-9-7-10-14-37)43-31-19-33-18-30-42-44(32-20-34-17-29-41(43)45(33)46(34)42)50(38-15-11-8-12-16-38)40-27-23-36(24-28-40)48(4,5)6;1-5-17-33(18-6-1)45(34-19-7-2-8-20-34)43-31-29-39(37-25-13-15-27-41(37)43)40-30-32-44(42-28-16-14-26-38(40)42)46(35-21-9-3-10-22-35)36-23-11-4-12-24-36;1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-26-23-31(24-27-39)32-21-22-34-30-40(28-25-33(34)29-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h3-44H,1-2H3;7-32H,1-6H3;1-32H;1-30H.
What are the key properties of 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine?
1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine has a molecular weight of 2685.49 g/mol, XLogP of 56.44, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine is sourced from PubChem (CID 159581184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).