11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole

C46H34N4 — CID 145108998

IUPAC11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4Cc3cccc4c5ccc6c7ccccc7n(C)c6c5n(C)c34)ccc21
InChIInChI=1S/C46H34N4/c1-47-39-16-7-5-13-32(39)37-25-28(19-23-41(37)47)29-20-24-43-38(26-29)33-14-6-9-18-42(33)50(43)27-30-11-10-15-34-36-22-21-35-31-12-4-8-17-40(31)48(2)45(35)46(36)49(3)44(30)34/h4-26H,27H2,1-3H3
InChIKeyXNFIHOOQIVLDGH-UHFFFAOYSA-N
MW642.81 g/mol
LogP11.44
Rot. Bonds3

About 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole

11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole (PubChem CID 145108998) has the molecular formula C46H34N4 and a molecular weight of 642.81 g/mol. Its IUPAC name is 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole
PubChem CID145108998
Molecular FormulaC46H34N4
Molecular Weight642.81 g/mol
Exact Mass642.28
IUPAC Name11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4Cc3cccc4c5ccc6c7ccccc7n(C)c6c5n(C)c34)ccc21
InChIInChI=1S/C46H34N4/c1-47-39-16-7-5-13-32(39)37-25-28(19-23-41(37)47)29-20-24-43-38(26-29)33-14-6-9-18-42(33)50(43)27-30-11-10-15-34-36-22-21-35-31-12-4-8-17-40(31)48(2)45(35)46(36)49(3)44(30)34/h4-26H,27H2,1-3H3
InChIKeyXNFIHOOQIVLDGH-UHFFFAOYSA-N
XLogP11.44
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
CID 129306339
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221459
12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
CID 134168521
1-ethyl-9-methylcarbazole
CID 21455608
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
5-(9-benzylcarbazol-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 170946861
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
7-methyl-10-(11-methylbenzo[a]carbazol-3-yl)benzo[c]carbazole
CID 134240713
2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 155377911
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole?
The IUPAC name of 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole (CID 145108998) is 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole is Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4Cc3cccc4c5ccc6c7ccccc7n(C)c6c5n(C)c34)ccc21.
What is the InChIKey of 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole?
The InChIKey is XNFIHOOQIVLDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4/c1-47-39-16-7-5-13-32(39)37-25-28(19-23-41(37)47)29-20-24-43-38(26-29)33-14-6-9-18-42(33)50(43)27-30-11-10-15-34-36-22-21-35-31-12-4-8-17-40(31)48(2)45(35)46(36)49(3)44(30)34/h4-26H,27H2,1-3H3.
What are the key properties of 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole?
11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole has a molecular weight of 642.81 g/mol, XLogP of 11.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 145108998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).