N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C84H61N3 — CID 87412305

IUPACN-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C84H61N3/c1-83(2)75-50-60(58-36-46-81-73(48-58)71-24-14-16-26-79(71)86(81)62-20-10-6-11-21-62)34-42-67(75)69-44-40-65(52-77(69)83)85(64-38-32-57(33-39-64)56-30-28-55(29-31-56)54-18-8-5-9-19-54)66-41-45-70-68-43-35-61(51-76(68)84(3,4)78(70)53-66)59-37-47-82-74(49-59)72-25-15-17-27-80(72)87(82)63-22-12-7-13-23-63/h5-53H,1-4H3
InChIKeyPTYHSYHPBDBGOS-UHFFFAOYSA-N
MW1112.43 g/mol
LogP22.63
Rot. Bonds9

About N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 87412305) has the molecular formula C84H61N3 and a molecular weight of 1112.43 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID87412305
Molecular FormulaC84H61N3
Molecular Weight1112.43 g/mol
Exact Mass1111.49
IUPAC NameN-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C84H61N3/c1-83(2)75-50-60(58-36-46-81-73(48-58)71-24-14-16-26-79(71)86(81)62-20-10-6-11-21-62)34-42-67(75)69-44-40-65(52-77(69)83)85(64-38-32-57(33-39-64)56-30-28-55(29-31-56)54-18-8-5-9-19-54)66-41-45-70-68-43-35-61(51-76(68)84(3,4)78(70)53-66)59-37-47-82-74(49-59)72-25-15-17-27-80(72)87(82)63-22-12-7-13-23-63/h5-53H,1-4H3
InChIKeyPTYHSYHPBDBGOS-UHFFFAOYSA-N
XLogP22.63
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.43
LogP ≤ 522.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89212864
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 158957479
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
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
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118188086
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-(4-isocyanophenyl)-9,9-dimethyl-7-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 88534195
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

Frequently Asked Questions

What is the IUPAC name of N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 87412305) is N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is PTYHSYHPBDBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H61N3/c1-83(2)75-50-60(58-36-46-81-73(48-58)71-24-14-16-26-79(71)86(81)62-20-10-6-11-21-62)34-42-67(75)69-44-40-65(52-77(69)83)85(64-38-32-57(33-39-64)56-30-28-55(29-31-56)54-18-8-5-9-19-54)66-41-45-70-68-43-35-61(51-76(68)84(3,4)78(70)53-66)59-37-47-82-74(49-59)72-25-15-17-27-80(72)87(82)63-22-12-7-13-23-63/h5-53H,1-4H3.
What are the key properties of N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 1112.43 g/mol, XLogP of 22.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 87412305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).