12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole

C55H38N2 — CID 121344070

IUPAC12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4n(-c4cccc5ccccc45)c3c21
InChIInChI=1S/C55H38N2/c1-55(2)48-23-10-8-21-42(48)44-28-29-45-47-34-39(27-31-52(47)57(54(45)53(44)55)49-25-13-17-36-16-6-7-20-41(36)49)38-26-30-51-46(33-38)43-22-9-11-24-50(43)56(51)40-19-12-18-37(32-40)35-14-4-3-5-15-35/h3-34H,1-2H3
InChIKeyIUGFRHWMJNGVMC-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.67
Rot. Bonds4

About 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole

12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole (PubChem CID 121344070) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
PubChem CID121344070
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4n(-c4cccc5ccccc45)c3c21
InChIInChI=1S/C55H38N2/c1-55(2)48-23-10-8-21-42(48)44-28-29-45-47-34-39(27-31-52(47)57(54(45)53(44)55)49-25-13-17-36-16-6-7-20-41(36)49)38-26-30-51-46(33-38)43-22-9-11-24-50(43)56(51)40-19-12-18-37(32-40)35-14-4-3-5-15-35/h3-34H,1-2H3
InChIKeyIUGFRHWMJNGVMC-UHFFFAOYSA-N
XLogP14.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
7,7-dimethyl-12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)indeno[1,2-a]carbazole;12,12-dimethyl-11-naphthalen-1-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)indeno[2,1-a]carbazole
CID 157102443
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-5-(10-phenylbenzo[c]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328709
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 160645669
14,14-dimethyl-9-naphthalen-1-yl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-1-yl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole;12,12-dimethyl-5-naphthalen-1-yl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-c]carbazole
CID 159771770
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
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole (CID 121344070) is 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4n(-c4cccc5ccccc45)c3c21.
What is the InChIKey of 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole?
The InChIKey is IUGFRHWMJNGVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-55(2)48-23-10-8-21-42(48)44-28-29-45-47-34-39(27-31-52(47)57(54(45)53(44)55)49-25-13-17-36-16-6-7-20-41(36)49)38-26-30-51-46(33-38)43-22-9-11-24-50(43)56(51)40-19-12-18-37(32-40)35-14-4-3-5-15-35/h3-34H,1-2H3.
What are the key properties of 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole?
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole has a molecular weight of 726.92 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 121344070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).