N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline

C62H40N2 — CID 170926863

IUPACN-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccc6ccccc6c54)cc3)c2)cc1
InChIInChI=1S/C62H40N2/c1-2-14-41(15-3-1)45-17-12-19-50(39-45)63(48-33-28-42(29-34-48)47-38-46-18-13-25-56-53-22-6-7-23-54(53)58(40-47)61(46)56)49-35-30-44(31-36-49)51-20-8-10-26-59(51)64-60-27-11-9-24-55(60)57-37-32-43-16-4-5-21-52(43)62(57)64/h1-40H
InChIKeyUUMXRIZKRXKYFW-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.21
Rot. Bonds7

About N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline

N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline (PubChem CID 170926863) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline
PubChem CID170926863
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccc6ccccc6c54)cc3)c2)cc1
InChIInChI=1S/C62H40N2/c1-2-14-41(15-3-1)45-17-12-19-50(39-45)63(48-33-28-42(29-34-48)47-38-46-18-13-25-56-53-22-6-7-23-54(53)58(40-47)61(46)56)49-35-30-44(31-36-49)51-20-8-10-26-59(51)64-60-27-11-9-24-55(60)57-37-32-43-16-4-5-21-52(43)62(57)64/h1-40H
InChIKeyUUMXRIZKRXKYFW-UHFFFAOYSA-N
XLogP17.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167322214
11-phenyl-8-[9-[4-[3-[2-[9-[4-[2-[9-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]phenyl]phenyl]fluoranthen-2-yl]fluoranthen-8-yl]phenyl]phenyl]carbazol-2-yl]benzo[a]carbazole
CID 134535319
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 167322421
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
3-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;3-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-(2-phenylphenyl)phenyl]phenyl]aniline
CID 162113105
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
N-[4-(6-benzo[a]carbazol-11-ylnaphthalen-2-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 170363167
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 170927017
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline?
The IUPAC name of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline (CID 170926863) is N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline.
What is the SMILES notation for N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline?
The canonical SMILES for N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline is c1ccc(-c2cccc(N(c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccc6ccccc6c54)cc3)c2)cc1.
What is the InChIKey of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline?
The InChIKey is UUMXRIZKRXKYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-2-14-41(15-3-1)45-17-12-19-50(39-45)63(48-33-28-42(29-34-48)47-38-46-18-13-25-56-53-22-6-7-23-54(53)58(40-47)61(46)56)49-35-30-44(31-36-49)51-20-8-10-26-59(51)64-60-27-11-9-24-55(60)57-37-32-43-16-4-5-21-52(43)62(57)64/h1-40H.
What are the key properties of N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline?
N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline has a molecular weight of 813.02 g/mol, XLogP of 17.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-fluoranthen-2-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 170926863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).