N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline

C49H34N2 — CID 143813917

IUPACN-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2)c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H34N2/c1-3-14-39(15-4-1)50(41-27-23-34(24-28-41)35-25-29-43-38(31-35)32-36-13-7-8-18-42(36)43)47-21-11-9-19-44(47)37-26-30-49-46(33-37)45-20-10-12-22-48(45)51(49)40-16-5-2-6-17-40/h1-31,33H,32H2
InChIKeyBMWXRMKFDCMNKC-UHFFFAOYSA-N
MW650.83 g/mol
LogP13.16
Rot. Bonds6

About N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline

N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline (PubChem CID 143813917) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
PubChem CID143813917
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC NameN-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2)c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C49H34N2/c1-3-14-39(15-4-1)50(41-27-23-34(24-28-41)35-25-29-43-38(31-35)32-36-13-7-8-18-42(36)43)47-21-11-9-19-44(47)37-26-30-49-46(33-37)45-20-10-12-22-48(45)51(49)40-16-5-2-6-17-40/h1-31,33H,32H2
InChIKeyBMWXRMKFDCMNKC-UHFFFAOYSA-N
XLogP13.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9H-fluoren-2-yl)-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine
CID 164973496
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-6-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158614914
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 169064297
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline
CID 129095714
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline (CID 143813917) is N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline is c1ccc(N(c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2)c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is BMWXRMKFDCMNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-3-14-39(15-4-1)50(41-27-23-34(24-28-41)35-25-29-43-38(31-35)32-36-13-7-8-18-42(36)43)47-21-11-9-19-44(47)37-26-30-49-46(33-37)45-20-10-12-22-48(45)51(49)40-16-5-2-6-17-40/h1-31,33H,32H2.
What are the key properties of N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline?
N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 650.83 g/mol, XLogP of 13.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-fluoren-2-yl)phenyl]-N-phenyl-2-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 143813917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).