9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine

C67H46N2 — CID 122524701

IUPAC9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C67H46N2/c1-6-21-47(22-7-1)49-25-20-32-56(42-49)68(57-38-39-64-61(46-57)59-33-16-18-35-63(59)67(64,53-26-10-3-11-27-53)54-28-12-4-13-29-54)58-43-51(48-23-8-2-9-24-48)41-52(44-58)50-37-40-66-62(45-50)60-34-17-19-36-65(60)69(66)55-30-14-5-15-31-55/h1-46H
InChIKeyNHEPJDGITGEPEH-UHFFFAOYSA-N
MW879.12 g/mol
LogP17.62
Rot. Bonds9

About 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine

9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine (PubChem CID 122524701) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
PubChem CID122524701
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC Name9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C67H46N2/c1-6-21-47(22-7-1)49-25-20-32-56(42-49)68(57-38-39-64-61(46-57)59-33-16-18-35-63(59)67(64,53-26-10-3-11-27-53)54-28-12-4-13-29-54)58-43-51(48-23-8-2-9-24-48)41-52(44-58)50-37-40-66-62(45-50)60-34-17-19-36-65(60)69(66)55-30-14-5-15-31-55/h1-46H
InChIKeyNHEPJDGITGEPEH-UHFFFAOYSA-N
XLogP17.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(3,5-diphenylphenyl)-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 165027363
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 157239139
N-(9,9-diphenylfluoren-3-yl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 129256023
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 138667407
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine (CID 122524701) is 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine is c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
The InChIKey is NHEPJDGITGEPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-6-21-47(22-7-1)49-25-20-32-56(42-49)68(57-38-39-64-61(46-57)59-33-16-18-35-63(59)67(64,53-26-10-3-11-27-53)54-28-12-4-13-29-54)58-43-51(48-23-8-2-9-24-48)41-52(44-58)50-37-40-66-62(45-50)60-34-17-19-36-65(60)69(66)55-30-14-5-15-31-55/h1-46H.
What are the key properties of 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine?
9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine has a molecular weight of 879.12 g/mol, XLogP of 17.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-(3-phenylphenyl)-N-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 122524701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).