N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine

C45H31N — CID 142589088

IUPACN-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C45H31N/c1-4-17-33(18-5-1)45(34-19-6-2-7-20-34)42-27-15-14-25-39(42)40-29-28-36(31-43(40)45)46(35-21-8-3-9-22-35)44-30-32-16-10-11-23-37(32)38-24-12-13-26-41(38)44/h1-31H
InChIKeyPIYQPJNSGLAULU-UHFFFAOYSA-N
MW585.75 g/mol
LogP11.83
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine (PubChem CID 142589088) has the molecular formula C45H31N and a molecular weight of 585.75 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
PubChem CID142589088
Molecular FormulaC45H31N
Molecular Weight585.75 g/mol
Exact Mass585.25
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C45H31N/c1-4-17-33(18-5-1)45(34-19-6-2-7-20-34)42-27-15-14-25-39(42)40-29-28-36(31-43(40)45)46(35-21-8-3-9-22-35)44-30-32-16-10-11-23-37(32)38-24-12-13-26-41(38)44/h1-31H
InChIKeyPIYQPJNSGLAULU-UHFFFAOYSA-N
XLogP11.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.75
LogP ≤ 511.83
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-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)phenanthren-9-amine
CID 171453294
N-phenanthren-9-yl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303586
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-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763
N-phenanthren-9-yl-N-tetraphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 139297927
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775197
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine (CID 142589088) is N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine?
The InChIKey is PIYQPJNSGLAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N/c1-4-17-33(18-5-1)45(34-19-6-2-7-20-34)42-27-15-14-25-39(42)40-29-28-36(31-43(40)45)46(35-21-8-3-9-22-35)44-30-32-16-10-11-23-37(32)38-24-12-13-26-41(38)44/h1-31H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine?
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine has a molecular weight of 585.75 g/mol, XLogP of 11.83, 5 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-phenylphenanthren-9-amine is sourced from PubChem (CID 142589088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).