13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C42H25N3O — CID 170371534

IUPAC13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cc3c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc(-c5ccccc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C42H25N3O/c1-3-13-26(14-4-1)33-25-34-39-41(46-40(34)31-20-10-9-19-30(31)33)38(28-16-5-2-6-17-28)43-42(44-39)45-35-22-12-11-21-32(35)37-29-18-8-7-15-27(29)23-24-36(37)45/h1-25H
InChIKeyXPBPYPVPGBJBAE-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 170371534) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID170371534
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cc3c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc(-c5ccccc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C42H25N3O/c1-3-13-26(14-4-1)33-25-34-39-41(46-40(34)31-20-10-9-19-30(31)33)38(28-16-5-2-6-17-28)43-42(44-39)45-35-22-12-11-21-32(35)37-29-18-8-7-15-27(29)23-24-36(37)45/h1-25H
InChIKeyXPBPYPVPGBJBAE-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-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

15-phenyl-13-(10-phenylbenzo[c]carbazol-7-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371134
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433908
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335480
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16-phenyl-9-[4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;22-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 160772208
16-carbazol-9-yl-9-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335747
9-[4-[2-(22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaen-22-yl)quinazolin-4-yl]phenyl]-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154986284
15-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 170371306
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163664957
2-benzo[c]carbazol-7-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 166849685
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
15-(5-naphthalen-2-ylindolo[3,2-b]carbazol-11-yl)-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 170371341

Frequently Asked Questions

What is the IUPAC name of 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 170371534) is 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-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 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1ccc(-c2cc3c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc(-c5ccccc5)c4oc3c3ccccc23)cc1.
What is the InChIKey of 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is XPBPYPVPGBJBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-3-13-26(14-4-1)33-25-34-39-41(46-40(34)31-20-10-9-19-30(31)33)38(28-16-5-2-6-17-28)43-42(44-39)45-35-22-12-11-21-32(35)37-29-18-8-7-15-27(29)23-24-36(37)45/h1-25H.
What are the key properties of 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-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 587.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-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 170371534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).