12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole

C52H37N — CID 156573457

IUPAC12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc21
InChIInChI=1S/C52H37N/c1-52(2)46-21-10-8-17-39(46)40-28-27-38(32-47(40)52)53-48-22-11-9-18-41(48)44-29-30-45-49(42-19-6-7-20-43(42)50(45)51(44)53)37-16-12-15-36(31-37)35-25-23-34(24-26-35)33-13-4-3-5-14-33/h3-32,49H,1-2H3
InChIKeyAKCBALNHDAFTQR-UHFFFAOYSA-N
MW675.88 g/mol
LogP13.58
Rot. Bonds4

About 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole

12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole (PubChem CID 156573457) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole
PubChem CID156573457
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC Name12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc21
InChIInChI=1S/C52H37N/c1-52(2)46-21-10-8-17-39(46)40-28-27-38(32-47(40)52)53-48-22-11-9-18-41(48)44-29-30-45-49(42-19-6-7-20-43(42)50(45)51(44)53)37-16-12-15-36(31-37)35-25-23-34(24-26-35)33-13-4-3-5-14-33/h3-32,49H,1-2H3
InChIKeyAKCBALNHDAFTQR-UHFFFAOYSA-N
XLogP13.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole
CID 157291315
4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537531
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 146395767
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537506
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole?
The IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole (CID 156573457) is 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole.
What is the SMILES notation for 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole?
The canonical SMILES for 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5c3cccc(-c4ccc(-c5ccccc5)cc4)c3)cc21.
What is the InChIKey of 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole?
The InChIKey is AKCBALNHDAFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-52(2)46-21-10-8-17-39(46)40-28-27-38(32-47(40)52)53-48-22-11-9-18-41(48)44-29-30-45-49(42-19-6-7-20-43(42)50(45)51(44)53)37-16-12-15-36(31-37)35-25-23-34(24-26-35)33-13-4-3-5-14-33/h3-32,49H,1-2H3.
What are the key properties of 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole?
12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole has a molecular weight of 675.88 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole is sourced from PubChem (CID 156573457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).