N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine

C43H29N — CID 174308486

IUPACN-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3Cc3ccccc3-4)c3cccc4c3ccc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C43H29N/c1-2-10-29(11-3-1)30-20-23-33(24-21-30)44(43-19-8-16-36-35-15-7-5-13-32(35)28-41(36)43)42-18-9-17-37-39-25-22-31-12-4-6-14-34(31)38(39)26-27-40(37)42/h1-27H,28H2
InChIKeyDUNSEBLITXNQIA-UHFFFAOYSA-N
MW559.71 g/mol
LogP11.85
Rot. Bonds4

About N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine

N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine (PubChem CID 174308486) has the molecular formula C43H29N and a molecular weight of 559.71 g/mol. Its IUPAC name is N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine.

Molecular Properties

Compound NameN-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
PubChem CID174308486
Molecular FormulaC43H29N
Molecular Weight559.71 g/mol
Exact Mass559.23
IUPAC NameN-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3Cc3ccccc3-4)c3cccc4c3ccc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C43H29N/c1-2-10-29(11-3-1)30-20-23-33(24-21-30)44(43-19-8-16-36-35-15-7-5-13-32(35)28-41(36)43)42-18-9-17-37-39-25-22-31-12-4-6-14-34(31)38(39)26-27-40(37)42/h1-27H,28H2
InChIKeyDUNSEBLITXNQIA-UHFFFAOYSA-N
XLogP11.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine
CID 163729194
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
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
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
2-chrysen-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 170141194
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine?
The IUPAC name of N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine (CID 174308486) is N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine.
What is the SMILES notation for N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine?
The canonical SMILES for N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine is c1ccc(-c2ccc(N(c3cccc4c3Cc3ccccc3-4)c3cccc4c3ccc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine?
The InChIKey is DUNSEBLITXNQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N/c1-2-10-29(11-3-1)30-20-23-33(24-21-30)44(43-19-8-16-36-35-15-7-5-13-32(35)28-41(36)43)42-18-9-17-37-39-25-22-31-12-4-6-14-34(31)38(39)26-27-40(37)42/h1-27H,28H2.
What are the key properties of N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine?
N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine has a molecular weight of 559.71 g/mol, XLogP of 11.85, 4 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)-N-(4-phenylphenyl)chrysen-1-amine is sourced from PubChem (CID 174308486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).