N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine

C82H66N4 — CID 88894266

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine
SMILESCc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1C(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1C
InChIInChI=1S/C82H66N4/c1-52-46-57(83(61-36-42-67-65-26-14-18-30-73(65)81(4,5)75(67)50-61)59-38-44-79-71(48-59)69-28-16-20-32-77(69)85(79)55-22-10-8-11-23-55)34-40-63(52)54(3)64-41-35-58(47-53(64)2)84(62-37-43-68-66-27-15-19-31-74(66)82(6,7)76(68)51-62)60-39-45-80-72(49-60)70-29-17-21-33-78(70)86(80)56-24-12-9-13-25-56/h8-51,54H,1-7H3
InChIKeyOITWKZMITIUCQV-UHFFFAOYSA-N
MW1107.46 g/mol
LogP22.20
Rot. Bonds10

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine (PubChem CID 88894266) has the molecular formula C82H66N4 and a molecular weight of 1107.46 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine
PubChem CID88894266
Molecular FormulaC82H66N4
Molecular Weight1107.46 g/mol
Exact Mass1106.53
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine
SMILESCc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1C(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1C
InChIInChI=1S/C82H66N4/c1-52-46-57(83(61-36-42-67-65-26-14-18-30-73(65)81(4,5)75(67)50-61)59-38-44-79-71(48-59)69-28-16-20-32-77(69)85(79)55-22-10-8-11-23-55)34-40-63(52)54(3)64-41-35-58(47-53(64)2)84(62-37-43-68-66-27-15-19-31-74(66)82(6,7)76(68)51-62)60-39-45-80-72(49-60)70-29-17-21-33-78(70)86(80)56-24-12-9-13-25-56/h8-51,54H,1-7H3
InChIKeyOITWKZMITIUCQV-UHFFFAOYSA-N
XLogP22.20
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.46
LogP ≤ 522.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
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
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine (CID 88894266) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine is Cc1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)ccc1C(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1C.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine?
The InChIKey is OITWKZMITIUCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H66N4/c1-52-46-57(83(61-36-42-67-65-26-14-18-30-73(65)81(4,5)75(67)50-61)59-38-44-79-71(48-59)69-28-16-20-32-77(69)85(79)55-22-10-8-11-23-55)34-40-63(52)54(3)64-41-35-58(47-53(64)2)84(62-37-43-68-66-27-15-19-31-74(66)82(6,7)76(68)51-62)60-39-45-80-72(49-60)70-29-17-21-33-78(70)86(80)56-24-12-9-13-25-56/h8-51,54H,1-7H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine has a molecular weight of 1107.46 g/mol, XLogP of 22.20, 10 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)-N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2-methylphenyl]ethyl]-3-methylphenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 88894266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).