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

C61H41N — CID 155304496

IUPAC10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C61H41N/c1-3-19-42(20-4-1)44-23-17-26-48(41-44)62(60-56-33-12-10-29-51(56)50-28-9-11-32-55(50)59(60)54-34-18-22-43-21-7-8-27-49(43)54)47-39-37-46(38-40-47)61(45-24-5-2-6-25-45)57-35-15-13-30-52(57)53-31-14-16-36-58(53)61/h1-41H
InChIKeyFGZWMBXNLLSRFF-UHFFFAOYSA-N
MW788.01 g/mol
LogP16.31
Rot. Bonds7

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

10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine (PubChem CID 155304496) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound Name10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
PubChem CID155304496
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC Name10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C61H41N/c1-3-19-42(20-4-1)44-23-17-26-48(41-44)62(60-56-33-12-10-29-51(56)50-28-9-11-32-55(50)59(60)54-34-18-22-43-21-7-8-27-49(43)54)47-39-37-46(38-40-47)61(45-24-5-2-6-25-45)57-35-15-13-30-52(57)53-31-14-16-36-58(53)61/h1-41H
InChIKeyFGZWMBXNLLSRFF-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 516.31
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-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303863
N-[4-(9-phenylfluoren-9-yl)phenyl]-10-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305163
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-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
10-phenyl-N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304163
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 169065537
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
CID 155304633
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine?
The IUPAC name of 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine (CID 155304496) is 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine is c1ccc(-c2cccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3c(-c4cccc5ccccc45)c4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine?
The InChIKey is FGZWMBXNLLSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N/c1-3-19-42(20-4-1)44-23-17-26-48(41-44)62(60-56-33-12-10-29-51(56)50-28-9-11-32-55(50)59(60)54-34-18-22-43-21-7-8-27-49(43)54)47-39-37-46(38-40-47)61(45-24-5-2-6-25-45)57-35-15-13-30-52(57)53-31-14-16-36-58(53)61/h1-41H.
What are the key properties of 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine?
10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine has a molecular weight of 788.01 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155304496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).