N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine

C65H45N — CID 171451830

IUPACN-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C65H45N/c1-4-17-46(18-5-1)47-33-35-48(36-34-47)49-37-41-56(42-38-49)66(57-43-39-50(40-44-57)52-21-14-22-53(45-52)59-29-15-20-51-19-10-11-27-58(51)59)63-32-16-31-62-64(63)60-28-12-13-30-61(60)65(62,54-23-6-2-7-24-54)55-25-8-3-9-26-55/h1-45H/i37D,38D,41D,42D
InChIKeyHBZLUPMCRCUGFB-QQQKNCCDSA-N
MW844.11 g/mol
LogP17.34
Rot. Bonds9

About N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 171451830) has the molecular formula C65H45N and a molecular weight of 844.11 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID171451830
Molecular FormulaC65H45N
Molecular Weight844.11 g/mol
Exact Mass843.38
IUPAC NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C65H45N/c1-4-17-46(18-5-1)47-33-35-48(36-34-47)49-37-41-56(42-38-49)66(57-43-39-50(40-44-57)52-21-14-22-53(45-52)59-29-15-20-51-19-10-11-27-58(51)59)63-32-16-31-62-64(63)60-28-12-13-30-61(60)65(62,54-23-6-2-7-24-54)55-25-8-3-9-26-55/h1-45H/i37D,38D,41D,42D
InChIKeyHBZLUPMCRCUGFB-QQQKNCCDSA-N
XLogP17.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.11
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
9,9-diphenyl-N-(2,3,4,6-tetradeuterio-5-naphthalen-1-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 171452058
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-4-amine
CID 171451126
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-4-amine
CID 171451857
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 171452970
N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 171451825
N-(2,5-dinaphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 167234200

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 171451830) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is HBZLUPMCRCUGFB-QQQKNCCDSA-N. The full InChI is InChI=1S/C65H45N/c1-4-17-46(18-5-1)47-33-35-48(36-34-47)49-37-41-56(42-38-49)66(57-43-39-50(40-44-57)52-21-14-22-53(45-52)59-29-15-20-51-19-10-11-27-58(51)59)63-32-16-31-62-64(63)60-28-12-13-30-61(60)65(62,54-23-6-2-7-24-54)55-25-8-3-9-26-55/h1-45H/i37D,38D,41D,42D.
What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine?
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 844.11 g/mol, XLogP of 17.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 171451830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).