9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine

C57H41N3 — CID 170286776

IUPAC9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc43)ccc21
InChIInChI=1S/C57H41N3/c1-57(2)49-26-12-9-23-44(49)48-36-42(32-34-50(48)57)60-51-27-13-10-24-45(51)46-33-31-43(37-55(46)60)58(41-22-15-19-39(35-41)38-17-5-3-6-18-38)53-29-16-30-54-56(53)47-25-11-14-28-52(47)59(54)40-20-7-4-8-21-40/h3-37H,1-2H3
InChIKeyOBUUABOINYSBLG-UHFFFAOYSA-N
MW767.98 g/mol
LogP15.32
Rot. Bonds6

About 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine

9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine (PubChem CID 170286776) has the molecular formula C57H41N3 and a molecular weight of 767.98 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
PubChem CID170286776
Molecular FormulaC57H41N3
Molecular Weight767.98 g/mol
Exact Mass767.33
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc43)ccc21
InChIInChI=1S/C57H41N3/c1-57(2)49-26-12-9-23-44(49)48-36-42(32-34-50(48)57)60-51-27-13-10-24-45(51)46-33-31-43(37-55(46)60)58(41-22-15-19-39(35-41)38-17-5-3-6-18-38)53-29-16-30-54-56(53)47-25-11-14-28-52(47)59(54)40-20-7-4-8-21-40/h3-37H,1-2H3
InChIKeyOBUUABOINYSBLG-UHFFFAOYSA-N
XLogP15.32
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.98
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010188
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
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168789639
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 170286782
3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289088
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
N-[3-[7-(9,9-dimethylfluoren-2-yl)benzo[g]carbazol-9-yl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 118349550
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine (CID 170286776) is 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5c5ccccc5n6-c5ccccc5)cc43)ccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine?
The InChIKey is OBUUABOINYSBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3/c1-57(2)49-26-12-9-23-44(49)48-36-42(32-34-50(48)57)60-51-27-13-10-24-45(51)46-33-31-43(37-55(46)60)58(41-22-15-19-39(35-41)38-17-5-3-6-18-38)53-29-16-30-54-56(53)47-25-11-14-28-52(47)59(54)40-20-7-4-8-21-40/h3-37H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine?
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 767.98 g/mol, XLogP of 15.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 170286776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).