7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole

C48H33N5 — CID 164744983

IUPAC7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6nc7n(-c8ccccc8)c8ccccc8n7c65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C48H33N5/c1-48(2)38-21-11-9-19-33(38)35-28-37-36-27-32(25-26-41(36)50(44(37)29-39(35)48)30-15-5-3-6-16-30)51-40-22-12-10-20-34(40)45-46(51)53-43-24-14-13-23-42(43)52(47(53)49-45)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeyUENVAABESLGTCK-UHFFFAOYSA-N
MW679.83 g/mol
LogP11.78
Rot. Bonds3

About 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole

7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole (PubChem CID 164744983) has the molecular formula C48H33N5 and a molecular weight of 679.83 g/mol. Its IUPAC name is 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole
PubChem CID164744983
Molecular FormulaC48H33N5
Molecular Weight679.83 g/mol
Exact Mass679.27
IUPAC Name7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6nc7n(-c8ccccc8)c8ccccc8n7c65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C48H33N5/c1-48(2)38-21-11-9-19-33(38)35-28-37-36-27-32(25-26-41(36)50(44(37)29-39(35)48)30-15-5-3-6-16-30)51-40-22-12-10-20-34(40)45-46(51)53-43-24-14-13-23-42(43)52(47(53)49-45)31-17-7-4-8-18-31/h3-29H,1-2H3
InChIKeyUENVAABESLGTCK-UHFFFAOYSA-N
XLogP11.78
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.83
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole with MolForge

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Related Compounds

7,7-dimethyl-5-phenyl-2-(13-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-9-yl)indeno[2,1-b]carbazole
CID 154646690
9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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
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
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
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
CID 122491611
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole (CID 164744983) is 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6nc7n(-c8ccccc8)c8ccccc8n7c65)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole?
The InChIKey is UENVAABESLGTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5/c1-48(2)38-21-11-9-19-33(38)35-28-37-36-27-32(25-26-41(36)50(44(37)29-39(35)48)30-15-5-3-6-16-30)51-40-22-12-10-20-34(40)45-46(51)53-43-24-14-13-23-42(43)52(47(53)49-45)31-17-7-4-8-18-31/h3-29H,1-2H3.
What are the key properties of 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole?
7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole has a molecular weight of 679.83 g/mol, XLogP of 11.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-phenyl-2-(9-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 164744983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).