N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine

C106H80N4 — CID 139472623

IUPACN-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESC=CC1=CCC(c2ccc(N(c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(N(c7ccc(-c8ccc(C=C)cc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C=C1
InChIInChI=1S/C106H80N4/c1-7-69-27-31-73(32-28-69)75-35-43-81(44-36-75)107(87-55-57-91-89-23-15-17-25-97(89)105(3,4)99(91)67-87)83-47-51-85(52-48-83)109-101-59-39-77(71-19-11-9-12-20-71)63-93(101)95-65-79(41-61-103(95)109)80-42-62-104-96(66-80)94-64-78(72-21-13-10-14-22-72)40-60-102(94)110(104)86-53-49-84(50-54-86)108(82-45-37-76(38-46-82)74-33-29-70(8-2)30-34-74)88-56-58-92-90-24-16-18-26-98(90)106(5,6)100(92)68-88/h7-33,35-68,74H,1-2,34H2,3-6H3
InChIKeyQKOCTYVNHYIWBZ-UHFFFAOYSA-N
MW1409.83 g/mol
LogP28.90
Rot. Bonds15

About N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine

N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 139472623) has the molecular formula C106H80N4 and a molecular weight of 1409.83 g/mol. Its IUPAC name is N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID139472623
Molecular FormulaC106H80N4
Molecular Weight1409.83 g/mol
Exact Mass1408.64
IUPAC NameN-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESC=CC1=CCC(c2ccc(N(c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(N(c7ccc(-c8ccc(C=C)cc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C=C1
InChIInChI=1S/C106H80N4/c1-7-69-27-31-73(32-28-69)75-35-43-81(44-36-75)107(87-55-57-91-89-23-15-17-25-97(89)105(3,4)99(91)67-87)83-47-51-85(52-48-83)109-101-59-39-77(71-19-11-9-12-20-71)63-93(101)95-65-79(41-61-103(95)109)80-42-62-104-96(66-80)94-64-78(72-21-13-10-14-22-72)40-60-102(94)110(104)86-53-49-84(50-54-86)108(82-45-37-76(38-46-82)74-33-29-70(8-2)30-34-74)88-56-58-92-90-24-16-18-26-98(90)106(5,6)100(92)68-88/h7-33,35-68,74H,1-2,34H2,3-6H3
InChIKeyQKOCTYVNHYIWBZ-UHFFFAOYSA-N
XLogP28.90
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.83
LogP ≤ 528.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
N-(9,9-dimethylfluoren-2-yl)-6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-N-(4-ethenylphenyl)-9-phenylcarbazol-3-amine;N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-9-pyridin-4-ylcarbazol-3-yl]-9-pyridin-4-ylcarbazol-3-yl]phenyl]-N-[4-(4-ethenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 162049366
6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118879563
4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-formylphenyl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]anilino]phenyl]benzaldehyde
CID 90164145
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
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 90164114
N-[4-[6-[(4-ethenylphenyl)methoxymethyl]-9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-[(4-ethenylphenyl)methoxymethyl]-N-[4-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159199644
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[9-(4-ethenylphenyl)carbazol-3-yl]amino]phenyl]phenyl]-9-(4-ethenylphenyl)carbazol-3-amine;9-(4-ethenylphenyl)-N-[4-[4-[[9-(4-ethenylphenyl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-ylcarbazol-3-amine;9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-3-amine;methane
CID 157074747

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 139472623) is N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine is C=CC1=CCC(c2ccc(N(c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(N(c7ccc(-c8ccc(C=C)cc8)cc7)c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)C=C1.
What is the InChIKey of N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is QKOCTYVNHYIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H80N4/c1-7-69-27-31-73(32-28-69)75-35-43-81(44-36-75)107(87-55-57-91-89-23-15-17-25-97(89)105(3,4)99(91)67-87)83-47-51-85(52-48-83)109-101-59-39-77(71-19-11-9-12-20-71)63-93(101)95-65-79(41-61-103(95)109)80-42-62-104-96(66-80)94-64-78(72-21-13-10-14-22-72)40-60-102(94)110(104)86-53-49-84(50-54-86)108(82-45-37-76(38-46-82)74-33-29-70(8-2)30-34-74)88-56-58-92-90-24-16-18-26-98(90)106(5,6)100(92)68-88/h7-33,35-68,74H,1-2,34H2,3-6H3.
What are the key properties of N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 1409.83 g/mol, XLogP of 28.90, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[9-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(4-ethenylphenyl)anilino]phenyl]-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]phenyl]-N-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 139472623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).