4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline

C61H42N2 — CID 118505684

IUPAC4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5c4)c3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-5-20-47(21-6-1)61(48-22-7-2-8-23-48)57-30-15-13-28-53(57)54-39-37-52(42-58(54)61)63-59-31-16-14-29-55(59)56-38-34-46(41-60(56)63)45-19-17-18-44(40-45)43-32-35-51(36-33-43)62(49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-42H
InChIKeyGYRXLFRTCXZOAC-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.95
Rot. Bonds8

About 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline

4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline (PubChem CID 118505684) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
PubChem CID118505684
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5c4)c3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-5-20-47(21-6-1)61(48-22-7-2-8-23-48)57-30-15-13-28-53(57)54-39-37-52(42-58(54)61)63-59-31-16-14-29-55(59)56-38-34-46(41-60(56)63)45-19-17-18-44(40-45)43-32-35-51(36-33-43)62(49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-42H
InChIKeyGYRXLFRTCXZOAC-UHFFFAOYSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160980279
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118265716
2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(3-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;N-[2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 161329368
N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 160912599

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline (CID 118505684) is 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5c4)c3)cc2)cc1.
What is the InChIKey of 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is GYRXLFRTCXZOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-5-20-47(21-6-1)61(48-22-7-2-8-23-48)57-30-15-13-28-53(57)54-39-37-52(42-58(54)61)63-59-31-16-14-29-55(59)56-38-34-46(41-60(56)63)45-19-17-18-44(40-45)43-32-35-51(36-33-43)62(49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-42H.
What are the key properties of 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline?
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 803.02 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118505684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).