N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine

C62H48N2 — CID 138495108

IUPACN-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)-c5ccccc5C6)cc4)cc3)c3ccc4c(c3)C3=CCCC=C3C4)cc2)=CCC1
InChIInChI=1S/C62H48N2/c1-3-11-43(12-4-1)45-19-29-53(30-20-45)63(57-37-27-51-39-49-15-7-9-17-59(49)61(51)41-57)55-33-23-47(24-34-55)48-25-35-56(36-26-48)64(54-31-21-46(22-32-54)44-13-5-2-6-14-44)58-38-28-52-40-50-16-8-10-18-60(50)62(52)42-58/h1,3-5,7,9,11-38,41-42H,2,6,8,10,39-40H2
InChIKeyQMEXLASHJGYKMC-UHFFFAOYSA-N
MW821.08 g/mol
LogP16.92
Rot. Bonds9

About N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine

N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine (PubChem CID 138495108) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine.

Molecular Properties

Compound NameN-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine
PubChem CID138495108
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC NameN-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)-c5ccccc5C6)cc4)cc3)c3ccc4c(c3)C3=CCCC=C3C4)cc2)=CCC1
InChIInChI=1S/C62H48N2/c1-3-11-43(12-4-1)45-19-29-53(30-20-45)63(57-37-27-51-39-49-15-7-9-17-59(49)61(51)41-57)55-33-23-47(24-34-55)48-25-35-56(36-26-48)64(54-31-21-46(22-32-54)44-13-5-2-6-14-44)58-38-28-52-40-50-16-8-10-18-60(50)62(52)42-58/h1,3-5,7,9,11-38,41-42H,2,6,8,10,39-40H2
InChIKeyQMEXLASHJGYKMC-UHFFFAOYSA-N
XLogP16.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine with MolForge

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Related Compounds

4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-3-amine
CID 137469184
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
N-[3-(6H-benzo[c]chromen-1-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)aniline
CID 170249991
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine?
The IUPAC name of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine (CID 138495108) is N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine.
What is the SMILES notation for N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine?
The canonical SMILES for N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine is C1=CC(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)-c5ccccc5C6)cc4)cc3)c3ccc4c(c3)C3=CCCC=C3C4)cc2)=CCC1.
What is the InChIKey of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine?
The InChIKey is QMEXLASHJGYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-3-11-43(12-4-1)45-19-29-53(30-20-45)63(57-37-27-51-39-49-15-7-9-17-59(49)61(51)41-57)55-33-23-47(24-34-55)48-25-35-56(36-26-48)64(54-31-21-46(22-32-54)44-13-5-2-6-14-44)58-38-28-52-40-50-16-8-10-18-60(50)62(52)42-58/h1,3-5,7,9,11-38,41-42H,2,6,8,10,39-40H2.
What are the key properties of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine?
N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine has a molecular weight of 821.08 g/mol, XLogP of 16.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,9-dihydro-6H-fluoren-3-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)-9H-fluoren-3-amine is sourced from PubChem (CID 138495108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).