5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole

C39H28N2 — CID 145024523

IUPAC5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole
SMILESCc1ccc2ccccc2c1-n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccccccc1
InChIInChI=1S/C39H28N2/c1-27-23-24-28-15-9-10-18-30(28)39(27)41-36-22-14-12-20-32(36)34-25-37-33(26-38(34)41)31-19-11-13-21-35(31)40(37)29-16-7-5-3-2-4-6-8-17-29/h2-26H,1H3/b3-2-,4-2-,5-3-,6-4+,7-5+,8-6+,16-7+,17-8-,29-16+,29-17+
InChIKeyQQZIRQLTBFIXQR-RFVAKGASSA-N
MW524.67 g/mol
LogP10.47
Rot. Bonds2

About 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole

5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole (PubChem CID 145024523) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole
PubChem CID145024523
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC Name5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole
SMILESCc1ccc2ccccc2c1-n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccccccc1
InChIInChI=1S/C39H28N2/c1-27-23-24-28-15-9-10-18-30(28)39(27)41-36-22-14-12-20-32(36)34-25-37-33(26-38(34)41)31-19-11-13-21-35(31)40(37)29-16-7-5-3-2-4-6-8-17-29/h2-26H,1H3/b3-2-,4-2-,5-3-,6-4+,7-5+,8-6+,16-7+,17-8-,29-16+,29-17+
InChIKeyQQZIRQLTBFIXQR-RFVAKGASSA-N
XLogP10.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylnaphthalen-1-yl)-9-phenylcarbazole
CID 156896832
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 157375241
9-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361343
16-[2,5-dimethyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163572455
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
CID 134168708
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
2-methyl-9-phenylcarbazole
CID 59552741
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118405055
11,16,26-triphenyl-11,16,26-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1(17),2(14),3,5,7,9,12,18,20,22,24,27-dodecaene-15-thione
CID 168933359

Frequently Asked Questions

What is the IUPAC name of 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole?
The IUPAC name of 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole (CID 145024523) is 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole?
The canonical SMILES for 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole is Cc1ccc2ccccc2c1-n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccccccc1.
What is the InChIKey of 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole?
The InChIKey is QQZIRQLTBFIXQR-RFVAKGASSA-N. The full InChI is InChI=1S/C39H28N2/c1-27-23-24-28-15-9-10-18-30(28)39(27)41-36-22-14-12-20-32(36)34-25-37-33(26-38(34)41)31-19-11-13-21-35(31)40(37)29-16-7-5-3-2-4-6-8-17-29/h2-26H,1H3/b3-2-,4-2-,5-3-,6-4+,7-5+,8-6+,16-7+,17-8-,29-16+,29-17+.
What are the key properties of 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole?
5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole has a molecular weight of 524.67 g/mol, XLogP of 10.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 145024523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).