3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline

C69H50N2 — CID 170666044

IUPAC3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3-c3ccccc3)cc21
InChIInChI=1S/C69H50N2/c1-69(2)63-34-17-15-29-58(63)59-43-39-51(45-64(59)69)56-31-20-36-66(67(56)50-25-11-5-12-26-50)70(54-42-44-55(47-21-7-3-8-22-47)62(46-54)48-23-9-4-10-24-48)53-40-37-49(38-41-53)57-32-19-33-61-60-30-16-18-35-65(60)71(68(57)61)52-27-13-6-14-28-52/h3-46H,1-2H3
InChIKeyYNOFPUJGNTXZCD-UHFFFAOYSA-N
MW907.17 g/mol
LogP18.89
Rot. Bonds9

About 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline

3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (PubChem CID 170666044) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
PubChem CID170666044
Molecular FormulaC69H50N2
Molecular Weight907.17 g/mol
Exact Mass906.40
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3-c3ccccc3)cc21
InChIInChI=1S/C69H50N2/c1-69(2)63-34-17-15-29-58(63)59-43-39-51(45-64(59)69)56-31-20-36-66(67(56)50-25-11-5-12-26-50)70(54-42-44-55(47-21-7-3-8-22-47)62(46-54)48-23-9-4-10-24-48)53-40-37-49(38-41-53)57-32-19-33-61-60-30-16-18-35-65(60)71(68(57)61)52-27-13-6-14-28-52/h3-46H,1-2H3
InChIKeyYNOFPUJGNTXZCD-UHFFFAOYSA-N
XLogP18.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789606
3-(9,9-dimethylfluoren-4-yl)-N-(3,5-diphenylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666243
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170665708
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(1-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(4-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 158052974
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112904

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline (CID 170666044) is 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c3-c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
The InChIKey is YNOFPUJGNTXZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2/c1-69(2)63-34-17-15-29-58(63)59-43-39-51(45-64(59)69)56-31-20-36-66(67(56)50-25-11-5-12-26-50)70(54-42-44-55(47-21-7-3-8-22-47)62(46-54)48-23-9-4-10-24-48)53-40-37-49(38-41-53)57-32-19-33-61-60-30-16-18-35-65(60)71(68(57)61)52-27-13-6-14-28-52/h3-46H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline?
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline has a molecular weight of 907.17 g/mol, XLogP of 18.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 170666044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).