N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine

C51H35N — CID 142589044

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C51H35N/c1-4-16-36(17-5-1)37-28-30-41(31-29-37)52(50-34-38-18-10-11-23-43(38)44-24-12-13-26-47(44)50)42-32-33-46-45-25-14-15-27-48(45)51(49(46)35-42,39-19-6-2-7-20-39)40-21-8-3-9-22-40/h1-35H
InChIKeyNZJPAJDAPRPAJX-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.49
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine

N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 142589044) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID142589044
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C51H35N/c1-4-16-36(17-5-1)37-28-30-41(31-29-37)52(50-34-38-18-10-11-23-43(38)44-24-12-13-26-47(44)50)42-32-33-46-45-25-14-15-27-48(45)51(49(46)35-42,39-19-6-2-7-20-39)40-21-8-3-9-22-40/h1-35H
InChIKeyNZJPAJDAPRPAJX-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.49
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-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
N-[4-(2-phenylphenyl)phenyl]-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155303585
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
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-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
CID 171453294
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine (CID 142589044) is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is NZJPAJDAPRPAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-4-16-36(17-5-1)37-28-30-41(31-29-37)52(50-34-38-18-10-11-23-43(38)44-24-12-13-26-47(44)50)42-32-33-46-45-25-14-15-27-48(45)51(49(46)35-42,39-19-6-2-7-20-39)40-21-8-3-9-22-40/h1-35H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 661.85 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 142589044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).