N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine

C67H45N — CID 155303863

IUPACN-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C67H45N/c1-4-21-46(22-5-1)53-29-12-13-30-54(53)48-39-41-51(42-40-48)68(66-61-36-17-15-33-57(61)56-32-14-16-35-60(56)65(66)59-37-20-24-47-23-10-11-31-55(47)59)52-43-44-64-62(45-52)58-34-18-19-38-63(58)67(64,49-25-6-2-7-26-49)50-27-8-3-9-28-50/h1-45H
InChIKeyGPNRFMXAGURMFE-UHFFFAOYSA-N
MW864.10 g/mol
LogP17.98
Rot. Bonds8

About N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine

N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 155303863) has the molecular formula C67H45N and a molecular weight of 864.10 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID155303863
Molecular FormulaC67H45N
Molecular Weight864.10 g/mol
Exact Mass863.36
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C67H45N/c1-4-21-46(22-5-1)53-29-12-13-30-54(53)48-39-41-51(42-40-48)68(66-61-36-17-15-33-57(61)56-32-14-16-35-60(56)65(66)59-37-20-24-47-23-10-11-31-55(47)59)52-43-44-64-62(45-52)58-34-18-19-38-63(58)67(64,49-25-6-2-7-26-49)50-27-8-3-9-28-50/h1-45H
InChIKeyGPNRFMXAGURMFE-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.10
LogP ≤ 517.98
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

10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304496
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-[4-[5-[10-[N-(9,9-diphenylfluoren-3-yl)-4-(4-phenylphenyl)anilino]phenanthren-9-yl]naphthalen-2-yl]phenyl]phenyl]-3-phenylphenyl]-10-naphthalen-2-ylphenanthren-9-amine
CID 155305461
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305163
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155304633
10-naphthalen-2-yl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304543
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169064351
N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305261
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169064937

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (CID 155303863) is N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is GPNRFMXAGURMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N/c1-4-21-46(22-5-1)53-29-12-13-30-54(53)48-39-41-51(42-40-48)68(66-61-36-17-15-33-57(61)56-32-14-16-35-60(56)65(66)59-37-20-24-47-23-10-11-31-55(47)59)52-43-44-64-62(45-52)58-34-18-19-38-63(58)67(64,49-25-6-2-7-26-49)50-27-8-3-9-28-50/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 864.10 g/mol, XLogP of 17.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 155303863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).