2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline

C52H37N3 — CID 137437900

IUPAC2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-n4c5c(c6c7ccccc7ccc64)CCC=C5)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3cc21
InChIInChI=1S/C52H37N3/c1-52(2)42-19-9-5-15-36(42)40-29-41-45(30-43(40)52)53-44(33-23-26-34(27-24-33)54-46-20-10-6-16-37(46)38-17-7-11-21-47(38)54)31-50(41)55-48-22-12-8-18-39(48)51-35-14-4-3-13-32(35)25-28-49(51)55/h3-7,9-17,19-31H,8,18H2,1-2H3
InChIKeyAKKRZEWKLWMOAH-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.36
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline

2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline (PubChem CID 137437900) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline
PubChem CID137437900
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-n4c5c(c6c7ccccc7ccc64)CCC=C5)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3cc21
InChIInChI=1S/C52H37N3/c1-52(2)42-19-9-5-15-36(42)40-29-41-45(30-43(40)52)53-44(33-23-26-34(27-24-33)54-46-20-10-6-16-37(46)38-17-7-11-21-47(38)54)31-50(41)55-48-22-12-8-18-39(48)51-35-14-4-3-13-32(35)25-28-49(51)55/h3-7,9-17,19-31H,8,18H2,1-2H3
InChIKeyAKKRZEWKLWMOAH-UHFFFAOYSA-N
XLogP13.36
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166563534
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697
5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole
CID 145080103
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline (CID 137437900) is 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-n4c5c(c6c7ccccc7ccc64)CCC=C5)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3cc21.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline?
The InChIKey is AKKRZEWKLWMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-52(2)42-19-9-5-15-36(42)40-29-41-45(30-43(40)52)53-44(33-23-26-34(27-24-33)54-46-20-10-6-16-37(46)38-17-7-11-21-47(38)54)31-50(41)55-48-22-12-8-18-39(48)51-35-14-4-3-13-32(35)25-28-49(51)55/h3-7,9-17,19-31H,8,18H2,1-2H3.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline?
2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline has a molecular weight of 703.89 g/mol, XLogP of 13.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-4-(10,11-dihydrobenzo[c]carbazol-7-yl)-10,10-dimethylindeno[1,2-g]quinoline is sourced from PubChem (CID 137437900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).