N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine

C57H39N — CID 171754276

IUPACN-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine
SMILESC1=C(c2ccccc2)Cc2cccc(-c3ccc4c(c3)-c3c(cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5Cc5ccccc5-6)c5ccccc35)C4)c21
InChIInChI=1S/C57H39N/c1-3-13-37(14-4-1)39-27-29-46(30-28-39)58(55-24-12-23-49-47-19-8-7-17-41(47)34-54(49)55)56-36-45-32-42-25-26-43(33-53(42)57(45)51-21-10-9-20-50(51)56)48-22-11-18-40-31-44(35-52(40)48)38-15-5-2-6-16-38/h1-30,33,35-36H,31-32,34H2
InChIKeyWMUQFLTXIALPAT-UHFFFAOYSA-N
MW737.95 g/mol
LogP14.88
Rot. Bonds6

About N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine

N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine (PubChem CID 171754276) has the molecular formula C57H39N and a molecular weight of 737.95 g/mol. Its IUPAC name is N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine.

Molecular Properties

Compound NameN-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine
PubChem CID171754276
Molecular FormulaC57H39N
Molecular Weight737.95 g/mol
Exact Mass737.31
IUPAC NameN-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine
SMILESC1=C(c2ccccc2)Cc2cccc(-c3ccc4c(c3)-c3c(cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5Cc5ccccc5-6)c5ccccc35)C4)c21
InChIInChI=1S/C57H39N/c1-3-13-37(14-4-1)39-27-29-46(30-28-39)58(55-24-12-23-49-47-19-8-7-17-41(47)34-54(49)55)56-36-45-32-42-25-26-43(33-53(42)57(45)51-21-10-9-20-50(51)56)48-22-11-18-40-31-44(35-52(40)48)38-15-5-2-6-16-38/h1-30,33,35-36H,31-32,34H2
InChIKeyWMUQFLTXIALPAT-UHFFFAOYSA-N
XLogP14.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
CID 174308486
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine
CID 163729194
N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
CID 166008466
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]-9H-fluoren-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-amine;N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-amine
CID 167596177
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
4-(9H-fluoren-3-yl)-6-(4-phenylphenyl)dibenzothiophene
CID 157122579
N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline
CID 142377962
7-N-(7H-benzo[c]fluoren-5-yl)-2-N-naphthalen-2-yl-7-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 130327132
11-(N-(4-phenylphenyl)anilino)-12,14-dihydro-7H-pentacen-5-one
CID 164850110

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
The IUPAC name of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine (CID 171754276) is N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine.
What is the SMILES notation for N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
The canonical SMILES for N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine is C1=C(c2ccccc2)Cc2cccc(-c3ccc4c(c3)-c3c(cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5Cc5ccccc5-6)c5ccccc35)C4)c21.
What is the InChIKey of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
The InChIKey is WMUQFLTXIALPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N/c1-3-13-37(14-4-1)39-27-29-46(30-28-39)58(55-24-12-23-49-47-19-8-7-17-41(47)34-54(49)55)56-36-45-32-42-25-26-43(33-53(42)57(45)51-21-10-9-20-50(51)56)48-22-11-18-40-31-44(35-52(40)48)38-15-5-2-6-16-38/h1-30,33,35-36H,31-32,34H2.
What are the key properties of N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine?
N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine has a molecular weight of 737.95 g/mol, XLogP of 14.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-1-yl)-10-(2-phenyl-1H-inden-4-yl)-N-(4-phenylphenyl)-7H-benzo[c]fluoren-5-amine is sourced from PubChem (CID 171754276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).