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

C51H37N3 — CID 170286472

IUPACN-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C51H37N3/c1-51(2)41-24-12-9-22-39(41)49-42(51)25-15-28-45(49)54(36-31-32-38-37-21-10-13-26-43(37)53(48(38)33-36)35-19-7-4-8-20-35)47-30-16-29-46-50(47)40-23-11-14-27-44(40)52(46)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyJWWNFMHWSVJFKH-UHFFFAOYSA-N
MW691.88 g/mol
LogP13.66
Rot. Bonds5

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

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (PubChem CID 170286472) has the molecular formula C51H37N3 and a molecular weight of 691.88 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
PubChem CID170286472
Molecular FormulaC51H37N3
Molecular Weight691.88 g/mol
Exact Mass691.30
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C51H37N3/c1-51(2)41-24-12-9-22-39(41)49-42(51)25-15-28-45(49)54(36-31-32-38-37-21-10-13-26-43(37)53(48(38)33-36)35-19-7-4-8-20-35)47-30-16-29-46-50(47)40-23-11-14-27-44(40)52(46)34-17-5-3-6-18-34/h3-33H,1-2H3
InChIKeyJWWNFMHWSVJFKH-UHFFFAOYSA-N
XLogP13.66
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.88
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
N-[4-(5,7-diphenylindolo[2,3-b]carbazol-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 121358635
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-4-amine
CID 121358632
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-dimethylfluoren-1-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168789249
N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 146332893

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine (CID 170286472) is N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3cccc4c3c3ccccc3n4-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
The InChIKey is JWWNFMHWSVJFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3/c1-51(2)41-24-12-9-22-39(41)49-42(51)25-15-28-45(49)54(36-31-32-38-37-21-10-13-26-43(37)53(48(38)33-36)35-19-7-4-8-20-35)47-30-16-29-46-50(47)40-23-11-14-27-44(40)52(46)34-17-5-3-6-18-34/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine?
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine has a molecular weight of 691.88 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine is sourced from PubChem (CID 170286472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).