8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine

C57H42N2 — CID 155776465

IUPAC8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine
SMILESCc1cccc(-c2cccc3c2Cc2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc2-3)c1C
InChIInChI=1S/C57H42N2/c1-38-13-11-19-49(39(38)2)51-20-12-21-52-50-33-32-48(35-44(50)37-54(51)52)58(46-28-23-41(24-29-46)40-14-5-3-6-15-40)47-30-25-42(26-31-47)43-27-34-57-55(36-43)53-18-9-10-22-56(53)59(57)45-16-7-4-8-17-45/h3-36H,37H2,1-2H3
InChIKeyYENRIXWVDHTHGB-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.44
Rot. Bonds7

About 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine

8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine (PubChem CID 155776465) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine.

Molecular Properties

Compound Name8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine
PubChem CID155776465
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine
SMILESCc1cccc(-c2cccc3c2Cc2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc2-3)c1C
InChIInChI=1S/C57H42N2/c1-38-13-11-19-49(39(38)2)51-20-12-21-52-50-33-32-48(35-44(50)37-54(51)52)58(46-28-23-41(24-29-46)40-14-5-3-6-15-40)47-30-25-42(26-31-47)43-27-34-57-55(36-43)53-18-9-10-22-56(53)59(57)45-16-7-4-8-17-45/h3-36H,37H2,1-2H3
InChIKeyYENRIXWVDHTHGB-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9H-fluoren-2-yl)-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-amine
CID 164973496
N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
3-[16-(3,5-diphenylphenyl)-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl]-9-phenylcarbazole
CID 161059724
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
The IUPAC name of 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine (CID 155776465) is 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine.
What is the SMILES notation for 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
The canonical SMILES for 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine is Cc1cccc(-c2cccc3c2Cc2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)ccc2-3)c1C.
What is the InChIKey of 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
The InChIKey is YENRIXWVDHTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-38-13-11-19-49(39(38)2)51-20-12-21-52-50-33-32-48(35-44(50)37-54(51)52)58(46-28-23-41(24-29-46)40-14-5-3-6-15-40)47-30-25-42(26-31-47)43-27-34-57-55(36-43)53-18-9-10-22-56(53)59(57)45-16-7-4-8-17-45/h3-36H,37H2,1-2H3.
What are the key properties of 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine?
8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine has a molecular weight of 754.98 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9H-fluoren-2-amine is sourced from PubChem (CID 155776465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).