8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C40H27N3O — CID 145354139

IUPAC8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCOc1ccccc1-c1cc2c3ccncc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C40H27N3O/c1-44-39-18-10-8-15-31(39)33-24-35-30-21-22-41-25-38(30)43(40(35)32-16-6-5-13-28(32)33)27-19-20-37-34(23-27)29-14-7-9-17-36(29)42(37)26-11-3-2-4-12-26/h2-25H,1H3
InChIKeyISOVSOYOOCRMQF-UHFFFAOYSA-N
MW565.68 g/mol
LogP10.10
Rot. Bonds4

About 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 145354139) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID145354139
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCOc1ccccc1-c1cc2c3ccncc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c2ccccc12
InChIInChI=1S/C40H27N3O/c1-44-39-18-10-8-15-31(39)33-24-35-30-21-22-41-25-38(30)43(40(35)32-16-6-5-13-28(32)33)27-19-20-37-34(23-27)29-14-7-9-17-36(29)42(37)26-11-3-2-4-12-26/h2-25H,1H3
InChIKeyISOVSOYOOCRMQF-UHFFFAOYSA-N
XLogP10.10
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
17-(9-phenylpyrido[3,4-b]indol-6-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 130258843
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691
7-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[3,4-b]indole
CID 129221374
5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole
CID 162215345
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-[3-[4,6-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 139554443
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 145354139) is 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is COc1ccccc1-c1cc2c3ccncc3n(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2c2ccccc12.
What is the InChIKey of 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is ISOVSOYOOCRMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-44-39-18-10-8-15-31(39)33-24-35-30-21-22-41-25-38(30)43(40(35)32-16-6-5-13-28(32)33)27-19-20-37-34(23-27)29-14-7-9-17-36(29)42(37)26-11-3-2-4-12-26/h2-25H,1H3.
What are the key properties of 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 565.68 g/mol, XLogP of 10.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-17-(9-phenylcarbazol-3-yl)-14,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 145354139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).