4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline

C61H42N2 — CID 147428000

IUPAC4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4Cc4c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc4-5)cc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-4-14-42(15-5-1)44-26-33-49(34-27-44)62(50-35-28-45(29-36-50)43-16-6-2-7-17-43)51-37-30-46(31-38-51)52-21-12-23-54-55-24-13-22-53(59(55)41-58(52)54)47-32-39-57-56-20-10-11-25-60(56)63(61(57)40-47)48-18-8-3-9-19-48/h1-40H,41H2
InChIKeyDTTSZUAGYZJFLJ-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.49
Rot. Bonds8

About 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 147428000) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID147428000
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4Cc4c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc4-5)cc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-4-14-42(15-5-1)44-26-33-49(34-27-44)62(50-35-28-45(29-36-50)43-16-6-2-7-17-43)51-37-30-46(31-38-51)52-21-12-23-54-55-24-13-22-53(59(55)41-58(52)54)47-32-39-57-56-20-10-11-25-60(56)63(61(57)40-47)48-18-8-3-9-19-48/h1-40H,41H2
InChIKeyDTTSZUAGYZJFLJ-UHFFFAOYSA-N
XLogP16.49
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 ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 147428000) is 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4Cc4c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc4-5)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is DTTSZUAGYZJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-4-14-42(15-5-1)44-26-33-49(34-27-44)62(50-35-28-45(29-36-50)43-16-6-2-7-17-43)51-37-30-46(31-38-51)52-21-12-23-54-55-24-13-22-53(59(55)41-58(52)54)47-32-39-57-56-20-10-11-25-60(56)63(61(57)40-47)48-18-8-3-9-19-48/h1-40H,41H2.
What are the key properties of 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 803.02 g/mol, XLogP of 16.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 147428000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).