N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine

C68H54N4 — CID 147401277

IUPACN-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine
SMILESCn1c2ccc(-c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4C)cc2c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C68H54N4/c1-67(2)59-23-15-13-21-51(59)53-31-27-47(39-61(53)67)71(45-17-9-7-10-18-45)49-29-33-55-57-37-43(25-35-63(57)69(5)65(55)41-49)44-26-36-64-58(38-44)56-34-30-50(42-66(56)70(64)6)72(46-19-11-8-12-20-46)48-28-32-54-52-22-14-16-24-60(52)68(3,4)62(54)40-48/h7-42H,1-6H3
InChIKeyDOUOBZRKJYJANM-UHFFFAOYSA-N
MW927.21 g/mol
LogP18.20
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine (PubChem CID 147401277) has the molecular formula C68H54N4 and a molecular weight of 927.21 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine
PubChem CID147401277
Molecular FormulaC68H54N4
Molecular Weight927.21 g/mol
Exact Mass926.43
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine
SMILESCn1c2ccc(-c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4C)cc2c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C68H54N4/c1-67(2)59-23-15-13-21-51(59)53-31-27-47(39-61(53)67)71(45-17-9-7-10-18-45)49-29-33-55-57-37-43(25-35-63(57)69(5)65(55)41-49)44-26-36-64-58(38-44)56-34-30-50(42-66(56)70(64)6)72(46-19-11-8-12-20-46)48-28-32-54-52-22-14-16-24-60(52)68(3,4)62(54)40-48/h7-42H,1-6H3
InChIKeyDOUOBZRKJYJANM-UHFFFAOYSA-N
XLogP18.20
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.21
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-dimethyl-2-phenylindol-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134507468
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-phenylcarbazol-3-yl]-10,10-dimethylanthracen-9-one
CID 142288595
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
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-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174605

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine (CID 147401277) is N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine is Cn1c2ccc(-c3ccc4c(c3)c3ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4C)cc2c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine?
The InChIKey is DOUOBZRKJYJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N4/c1-67(2)59-23-15-13-21-51(59)53-31-27-47(39-61(53)67)71(45-17-9-7-10-18-45)49-29-33-55-57-37-43(25-35-63(57)69(5)65(55)41-49)44-26-36-64-58(38-44)56-34-30-50(42-66(56)70(64)6)72(46-19-11-8-12-20-46)48-28-32-54-52-22-14-16-24-60(52)68(3,4)62(54)40-48/h7-42H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine has a molecular weight of 927.21 g/mol, XLogP of 18.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine is sourced from PubChem (CID 147401277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).