4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

C69H50N2 — CID 118505683

IUPAC4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc(N(c8ccccc8)c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)cc7)c6)cc54)cc3)ccc21
InChIInChI=1S/C69H50N2/c1-69(2)65-25-11-9-23-61(65)64-45-55(34-42-66(64)69)50-31-39-60(40-32-50)71-67-26-12-10-24-62(67)63-41-33-56(46-68(63)71)54-20-14-19-53(44-54)49-29-37-59(38-30-49)70(57-21-7-4-8-22-57)58-35-27-48(28-36-58)52-18-13-17-51(43-52)47-15-5-3-6-16-47/h3-46H,1-2H3
InChIKeyBBVGYVVVLLXLNF-UHFFFAOYSA-N
MW907.17 g/mol
LogP18.89
Rot. Bonds9

About 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 118505683) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID118505683
Molecular FormulaC69H50N2
Molecular Weight907.17 g/mol
Exact Mass906.40
IUPAC Name4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc(N(c8ccccc8)c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)cc7)c6)cc54)cc3)ccc21
InChIInChI=1S/C69H50N2/c1-69(2)65-25-11-9-23-61(65)64-45-55(34-42-66(64)69)50-31-39-60(40-32-50)71-67-26-12-10-24-62(67)63-41-33-56(46-68(63)71)54-20-14-19-53(44-54)49-29-37-59(38-30-49)70(57-21-7-4-8-22-57)58-35-27-48(28-36-58)52-18-13-17-51(43-52)47-15-5-3-6-16-47/h3-46H,1-2H3
InChIKeyBBVGYVVVLLXLNF-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

N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
7-carbazol-9-yl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58389898
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289088

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 118505683) is 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc(-c7ccc(N(c8ccccc8)c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)cc7)c6)cc54)cc3)ccc21.
What is the InChIKey of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is BBVGYVVVLLXLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2/c1-69(2)65-25-11-9-23-61(65)64-45-55(34-42-66(64)69)50-31-39-60(40-32-50)71-67-26-12-10-24-62(67)63-41-33-56(46-68(63)71)54-20-14-19-53(44-54)49-29-37-59(38-30-49)70(57-21-7-4-8-22-57)58-35-27-48(28-36-58)52-18-13-17-51(43-52)47-15-5-3-6-16-47/h3-46H,1-2H3.
What are the key properties of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)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 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118505683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).