9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine

C71H50N2 — CID 170304185

IUPAC9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine
SMILESC1=C(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)C=C2C(C1)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C71H50N2/c1-5-22-49(23-6-1)58-37-20-24-50-25-21-38-63(70(50)58)61-35-14-17-40-67(61)72(56-33-19-26-51(46-56)52-42-45-69-64(47-52)62-36-15-18-41-68(62)73(69)55-31-11-4-12-32-55)57-43-44-60-59-34-13-16-39-65(59)71(66(60)48-57,53-27-7-2-8-28-53)54-29-9-3-10-30-54/h1-43,45-48,60H,44H2
InChIKeyRERKTBBUJJCILI-UHFFFAOYSA-N
MW931.20 g/mol
LogP18.42
Rot. Bonds9

About 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine

9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine (PubChem CID 170304185) has the molecular formula C71H50N2 and a molecular weight of 931.20 g/mol. Its IUPAC name is 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine
PubChem CID170304185
Molecular FormulaC71H50N2
Molecular Weight931.20 g/mol
Exact Mass930.40
IUPAC Name9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine
SMILESC1=C(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)C=C2C(C1)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C71H50N2/c1-5-22-49(23-6-1)58-37-20-24-50-25-21-38-63(70(50)58)61-35-14-17-40-67(61)72(56-33-19-26-51(46-56)52-42-45-69-64(47-52)62-36-15-18-41-68(62)73(69)55-31-11-4-12-32-55)57-43-44-60-59-34-13-16-39-65(59)71(66(60)48-57,53-27-7-2-8-28-53)54-29-9-3-10-30-54/h1-43,45-48,60H,44H2
InChIKeyRERKTBBUJJCILI-UHFFFAOYSA-N
XLogP18.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.20
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
9-methyl-9-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170304175
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170304205
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170111185
N-[7-[6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)naphthalen-1-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-4,4a-dihydrofluoren-2-yl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 163747125
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298779
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338
N-(3-phenanthren-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303126

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine (CID 170304185) is 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine is C1=C(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)C=C2C(C1)c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
The InChIKey is RERKTBBUJJCILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N2/c1-5-22-49(23-6-1)58-37-20-24-50-25-21-38-63(70(50)58)61-35-14-17-40-67(61)72(56-33-19-26-51(46-56)52-42-45-69-64(47-52)62-36-15-18-41-68(62)73(69)55-31-11-4-12-32-55)57-43-44-60-59-34-13-16-39-65(59)71(66(60)48-57,53-27-7-2-8-28-53)54-29-9-3-10-30-54/h1-43,45-48,60H,44H2.
What are the key properties of 9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
9,9-diphenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine has a molecular weight of 931.20 g/mol, XLogP of 18.42, 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-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-4,4a-dihydrofluoren-2-amine is sourced from PubChem (CID 170304185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).