N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine

C47H31N — CID 58233592

IUPACN-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C47H31N/c1-3-14-35(15-4-1)47(42-20-9-7-18-39(42)40-19-8-10-21-43(40)47)36-26-28-38(29-27-36)48(37-16-5-2-6-17-37)44-31-25-34-23-22-32-12-11-13-33-24-30-41(44)46(34)45(32)33/h1-31H
InChIKeyJWDIVUCPZXZYBA-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.42
Rot. Bonds5

About N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine

N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine (PubChem CID 58233592) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
PubChem CID58233592
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC NameN-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
SMILESc1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C47H31N/c1-3-14-35(15-4-1)47(42-20-9-7-18-39(42)40-19-8-10-21-43(40)47)36-26-28-38(29-27-36)48(37-16-5-2-6-17-37)44-31-25-34-23-22-32-12-11-13-33-24-30-41(44)46(34)45(32)33/h1-31H
InChIKeyJWDIVUCPZXZYBA-UHFFFAOYSA-N
XLogP12.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.42
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

1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 58233528
1-N,1-N-bis(3,5-dimethylphenyl)-6-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 126743874
1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
CID 58233584
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159641175
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine
CID 118333123
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412464
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 121464380
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine?
The IUPAC name of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine (CID 58233592) is N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine.
What is the SMILES notation for N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine?
The canonical SMILES for N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine is c1ccc(N(c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine?
The InChIKey is JWDIVUCPZXZYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-3-14-35(15-4-1)47(42-20-9-7-18-39(42)40-19-8-10-21-43(40)47)36-26-28-38(29-27-36)48(37-16-5-2-6-17-37)44-31-25-34-23-22-32-12-11-13-33-24-30-41(44)46(34)45(32)33/h1-31H.
What are the key properties of N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine?
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine has a molecular weight of 609.77 g/mol, XLogP of 12.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine is sourced from PubChem (CID 58233592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).