N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine

C45H36N2 — CID 122691770

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=Cc4c(n(-c5ccccc5)c5ccccc45)CC3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C45H36N2/c1-45(2)41-19-11-9-17-37(41)38-27-25-36(30-42(38)45)46(34-23-21-32(22-24-34)31-13-5-3-6-14-31)35-26-28-44-40(29-35)39-18-10-12-20-43(39)47(44)33-15-7-4-8-16-33/h3-25,27,29-30H,26,28H2,1-2H3
InChIKeyIKDQFBIHRSBANW-UHFFFAOYSA-N
MW604.80 g/mol
LogP11.73
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine (PubChem CID 122691770) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
PubChem CID122691770
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=Cc4c(n(-c5ccccc5)c5ccccc45)CC3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C45H36N2/c1-45(2)41-19-11-9-17-37(41)38-27-25-36(30-42(38)45)46(34-23-21-32(22-24-34)31-13-5-3-6-14-31)35-26-28-44-40(29-35)39-18-10-12-20-43(39)47(44)33-15-7-4-8-16-33/h3-25,27,29-30H,26,28H2,1-2H3
InChIKeyIKDQFBIHRSBANW-UHFFFAOYSA-N
XLogP11.73
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
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,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
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
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
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)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine (CID 122691770) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(C3=Cc4c(n(-c5ccccc5)c5ccccc45)CC3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine?
The InChIKey is IKDQFBIHRSBANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-45(2)41-19-11-9-17-37(41)38-27-25-36(30-42(38)45)46(34-23-21-32(22-24-34)31-13-5-3-6-14-31)35-26-28-44-40(29-35)39-18-10-12-20-43(39)47(44)33-15-7-4-8-16-33/h3-25,27,29-30H,26,28H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine has a molecular weight of 604.80 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-1,2-dihydrocarbazol-3-amine is sourced from PubChem (CID 122691770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).