6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine

C52H35NO — CID 169022464

IUPAC6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(c2cccc3c2oc2cccc(N(c4ccc(-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)c23)c2ccccc2-c2ccccc21
InChIInChI=1S/C52H35NO/c1-52(44-24-11-9-20-40(44)41-21-10-12-25-45(41)52)46-26-13-23-43-50-47(27-14-28-49(50)54-51(43)46)53(37-31-29-35(30-32-37)34-15-3-2-4-16-34)48-33-36-17-5-6-18-38(36)39-19-7-8-22-42(39)48/h2-33H,1H3
InChIKeyBJVAZGCMJYWMQQ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.36
Rot. Bonds5

About 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine

6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 169022464) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID169022464
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(c2cccc3c2oc2cccc(N(c4ccc(-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)c23)c2ccccc2-c2ccccc21
InChIInChI=1S/C52H35NO/c1-52(44-24-11-9-20-40(44)41-21-10-12-25-45(41)52)46-26-13-23-43-50-47(27-14-28-49(50)54-51(43)46)53(37-31-29-35(30-32-37)34-15-3-2-4-16-34)48-33-36-17-5-6-18-38(36)39-19-7-8-22-42(39)48/h2-33H,1H3
InChIKeyBJVAZGCMJYWMQQ-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-diphenylphenyl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022239
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022316
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 88534204
6-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022414
4-(9-methylfluoren-9-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 169022196
N-[4-[4-(9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 169021993
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303613
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-1-amine
CID 169022361
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715

Frequently Asked Questions

What is the IUPAC name of 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 169022464) is 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine is CC1(c2cccc3c2oc2cccc(N(c4ccc(-c5ccccc5)cc4)c4cc5ccccc5c5ccccc45)c23)c2ccccc2-c2ccccc21.
What is the InChIKey of 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is BJVAZGCMJYWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-52(44-24-11-9-20-40(44)41-21-10-12-25-45(41)52)46-26-13-23-43-50-47(27-14-28-49(50)54-51(43)46)53(37-31-29-35(30-32-37)34-15-3-2-4-16-34)48-33-36-17-5-6-18-38(36)39-19-7-8-22-42(39)48/h2-33H,1H3.
What are the key properties of 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine?
6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 689.86 g/mol, XLogP of 14.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methylfluoren-9-yl)-N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 169022464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).