N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine

C63H43N — CID 177081102

IUPACN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C63H43N/c1-5-17-45(18-6-1)56-40-38-54(43-59(56)46-19-7-2-8-20-46)64(53-37-33-48-30-29-47-21-13-14-26-55(47)60(48)42-53)52-35-31-44(32-36-52)49-34-39-58-57-27-15-16-28-61(57)63(62(58)41-49,50-22-9-3-10-23-50)51-24-11-4-12-25-51/h1-43H
InChIKeyPEDUAQYKVIIKNQ-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.83
Rot. Bonds8

About N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine (PubChem CID 177081102) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
PubChem CID177081102
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C63H43N/c1-5-17-45(18-6-1)56-40-38-54(43-59(56)46-19-7-2-8-20-46)64(53-37-33-48-30-29-47-21-13-14-26-55(47)60(48)42-53)52-35-31-44(32-36-52)49-34-39-58-57-27-15-16-28-61(57)63(62(58)41-49,50-22-9-3-10-23-50)51-24-11-4-12-25-51/h1-43H
InChIKeyPEDUAQYKVIIKNQ-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 516.83
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,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N,N-bis(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 135299595
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 142754283
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
CID 135303377
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine?
The IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine (CID 177081102) is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3ccc4ccc5ccccc5c4c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine?
The InChIKey is PEDUAQYKVIIKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-5-17-45(18-6-1)56-40-38-54(43-59(56)46-19-7-2-8-20-46)64(53-37-33-48-30-29-47-21-13-14-26-55(47)60(48)42-53)52-35-31-44(32-36-52)49-34-39-58-57-27-15-16-28-61(57)63(62(58)41-49,50-22-9-3-10-23-50)51-24-11-4-12-25-51/h1-43H.
What are the key properties of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine?
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine has a molecular weight of 814.04 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine is sourced from PubChem (CID 177081102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).