N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine

C63H41NO — CID 167234281

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C63H41NO/c1-4-18-42(19-5-1)50-35-32-44(57-38-43-20-10-11-25-49(43)51-26-12-13-27-52(51)57)39-60(50)64(48-34-37-56-55-29-15-17-31-61(55)65-62(56)41-48)47-33-36-54-53-28-14-16-30-58(53)63(59(54)40-47,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-41H
InChIKeyUZLXWZSHJUSMOM-UHFFFAOYSA-N
MW828.03 g/mol
LogP17.06
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 167234281) has the molecular formula C63H41NO and a molecular weight of 828.03 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
PubChem CID167234281
Molecular FormulaC63H41NO
Molecular Weight828.03 g/mol
Exact Mass827.32
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C63H41NO/c1-4-18-42(19-5-1)50-35-32-44(57-38-43-20-10-11-25-49(43)51-26-12-13-27-52(51)57)39-60(50)64(48-34-37-56-55-29-15-17-31-61(55)65-62(56)41-48)47-33-36-54-53-28-14-16-30-58(53)63(59(54)40-47,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-41H
InChIKeyUZLXWZSHJUSMOM-UHFFFAOYSA-N
XLogP17.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 517.06
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-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-(4-dibenzofuran-3-ylcyclohexa-1,5-dien-1-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234158
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234612
N-phenanthren-9-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 121400531
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530
N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine (CID 167234281) is N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is UZLXWZSHJUSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO/c1-4-18-42(19-5-1)50-35-32-44(57-38-43-20-10-11-25-49(43)51-26-12-13-27-52(51)57)39-60(50)64(48-34-37-56-55-29-15-17-31-61(55)65-62(56)41-48)47-33-36-54-53-28-14-16-30-58(53)63(59(54)40-47,45-21-6-2-7-22-45)46-23-8-3-9-24-46/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 828.03 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167234281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).