7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole

C41H29N3O2S — CID 135252723

IUPAC7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(S(=O)(=O)c5ccc(-c6ccnc7ccncc67)cc5)cc4)c3cc21
InChIInChI=1S/C41H29N3O2S/c1-41(2)36-9-5-3-7-31(36)33-23-34-32-8-4-6-10-39(32)44(40(34)24-37(33)41)27-13-17-29(18-14-27)47(45,46)28-15-11-26(12-16-28)30-19-22-43-38-20-21-42-25-35(30)38/h3-25H,1-2H3
InChIKeyVJUBFPRSZSVEEQ-UHFFFAOYSA-N
MW627.77 g/mol
LogP9.53
Rot. Bonds4

About 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole (PubChem CID 135252723) has the molecular formula C41H29N3O2S and a molecular weight of 627.77 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole
PubChem CID135252723
Molecular FormulaC41H29N3O2S
Molecular Weight627.77 g/mol
Exact Mass627.20
IUPAC Name7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(S(=O)(=O)c5ccc(-c6ccnc7ccncc67)cc5)cc4)c3cc21
InChIInChI=1S/C41H29N3O2S/c1-41(2)36-9-5-3-7-31(36)33-23-34-32-8-4-6-10-39(32)44(40(34)24-37(33)41)27-13-17-29(18-14-27)47(45,46)28-15-11-26(12-16-28)30-19-22-43-38-20-21-42-25-35(30)38/h3-25H,1-2H3
InChIKeyVJUBFPRSZSVEEQ-UHFFFAOYSA-N
XLogP9.53
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.77
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 146187854
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
CID 146356615
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166563534

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole (CID 135252723) is 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(S(=O)(=O)c5ccc(-c6ccnc7ccncc67)cc5)cc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole?
The InChIKey is VJUBFPRSZSVEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O2S/c1-41(2)36-9-5-3-7-31(36)33-23-34-32-8-4-6-10-39(32)44(40(34)24-37(33)41)27-13-17-29(18-14-27)47(45,46)28-15-11-26(12-16-28)30-19-22-43-38-20-21-42-25-35(30)38/h3-25H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole has a molecular weight of 627.77 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 135252723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).