4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C117H91BrN2 — CID 159762186

IUPAC4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC.CC1(C)c2ccccc2C2(c3ccccc3-c3c(Br)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cccc32)c2ccccc21.c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H43N.C30H23N.C28H21Br.CH4/c1-57(2)50-22-11-13-24-52(50)58(53-25-14-12-23-51(53)57)49-21-10-9-20-48(49)56-54(58)26-15-27-55(56)59(46-36-32-44(33-37-46)41-18-7-4-8-19-41)47-38-34-45(35-39-47)43-30-28-42(29-31-43)40-16-5-3-6-17-40;1-3-7-23(8-4-1)25-11-13-26(14-12-25)28-17-21-30(22-18-28)31-29-19-15-27(16-20-29)24-9-5-2-6-10-24;1-27(2)20-12-5-7-14-22(20)28(23-15-8-6-13-21(23)27)19-11-4-3-10-18(19)26-24(28)16-9-17-25(26)29;/h3-39H,1-2H3;1-22,31H;3-17H,1-2H3;1H4
InChIKeyNFAOOYMQKWKUQN-UHFFFAOYSA-N
MW1604.93 g/mol
LogP31.68
Rot. Bonds11

About 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 159762186) has the molecular formula C117H91BrN2 and a molecular weight of 1604.93 g/mol. Its IUPAC name is 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID159762186
Molecular FormulaC117H91BrN2
Molecular Weight1604.93 g/mol
Exact Mass1602.64
IUPAC Name4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC.CC1(C)c2ccccc2C2(c3ccccc3-c3c(Br)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cccc32)c2ccccc21.c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H43N.C30H23N.C28H21Br.CH4/c1-57(2)50-22-11-13-24-52(50)58(53-25-14-12-23-51(53)57)49-21-10-9-20-48(49)56-54(58)26-15-27-55(56)59(46-36-32-44(33-37-46)41-18-7-4-8-19-41)47-38-34-45(35-39-47)43-30-28-42(29-31-43)40-16-5-3-6-17-40;1-3-7-23(8-4-1)25-11-13-26(14-12-25)28-17-21-30(22-18-28)31-29-19-15-27(16-20-29)24-9-5-2-6-10-24;1-27(2)20-12-5-7-14-22(20)28(23-15-8-6-13-21(23)27)19-11-4-3-10-18(19)26-24(28)16-9-17-25(26)29;/h3-39H,1-2H3;1-22,31H;3-17H,1-2H3;1H4
InChIKeyNFAOOYMQKWKUQN-UHFFFAOYSA-N
XLogP31.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001604.93
LogP ≤ 531.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline with MolForge

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
CID 118153763
CID 118153763
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
4-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667094
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
9-(2-bromophenyl)-4-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-ol
CID 118049359

Frequently Asked Questions

What is the IUPAC name of 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 159762186) is 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is C.CC1(C)c2ccccc2C2(c3ccccc3-c3c(Br)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cccc32)c2ccccc21.c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is NFAOOYMQKWKUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N.C30H23N.C28H21Br.CH4/c1-57(2)50-22-11-13-24-52(50)58(53-25-14-12-23-51(53)57)49-21-10-9-20-48(49)56-54(58)26-15-27-55(56)59(46-36-32-44(33-37-46)41-18-7-4-8-19-41)47-38-34-45(35-39-47)43-30-28-42(29-31-43)40-16-5-3-6-17-40;1-3-7-23(8-4-1)25-11-13-26(14-12-25)28-17-21-30(22-18-28)31-29-19-15-27(16-20-29)24-9-5-2-6-10-24;1-27(2)20-12-5-7-14-22(20)28(23-15-8-6-13-21(23)27)19-11-4-3-10-18(19)26-24(28)16-9-17-25(26)29;/h3-39H,1-2H3;1-22,31H;3-17H,1-2H3;1H4.
What are the key properties of 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 1604.93 g/mol, XLogP of 31.68, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene];9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;methane;4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 159762186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).