15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 170371568

IUPAC15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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(-c2cccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5c6ccccc6ccc5c4n3)c2)cc1
InChIInChI=1S/C42H25N3O/c1-2-11-26(12-3-1)28-16-10-17-31(23-28)41-43-38-34-22-21-27-13-6-7-18-32(27)39(34)46-40(38)42(44-41)45-36-20-9-8-19-33(36)35-24-29-14-4-5-15-30(29)25-37(35)45/h1-25H
InChIKeyDGYQYPLHUDHGEG-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 170371568) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 Name15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 CID170371568
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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(-c2cccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5c6ccccc6ccc5c4n3)c2)cc1
InChIInChI=1S/C42H25N3O/c1-2-11-26(12-3-1)28-16-10-17-31(23-28)41-43-38-34-22-21-27-13-6-7-18-32(27)39(34)46-40(38)42(44-41)45-36-20-9-8-19-33(36)35-24-29-14-4-5-15-30(29)25-37(35)45/h1-25H
InChIKeyDGYQYPLHUDHGEG-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 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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

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CID 167347739
13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-15-naphthalen-1-yl-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 129128880
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CID 166699413
5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700028
5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
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5-[2-naphtho[1,2-b][1]benzofuran-7-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474711
12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155042940
12-[7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 164714914
5-[9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
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3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477089
4-(7-benzo[b]carbazol-5-ylnaphtho[1,2-b][1]benzofuran-10-yl)-2-dibenzofuran-1-yl-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 174311983
2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736787

Frequently Asked Questions

What is the IUPAC name of 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 170371568) is 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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(-c2cccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5c6ccccc6ccc5c4n3)c2)cc1.
What is the InChIKey of 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 DGYQYPLHUDHGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-2-11-26(12-3-1)28-16-10-17-31(23-28)41-43-38-34-22-21-27-13-6-7-18-32(27)39(34)46-40(38)42(44-41)45-36-20-9-8-19-33(36)35-24-29-14-4-5-15-30(29)25-37(35)45/h1-25H.
What are the key properties of 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 15-benzo[b]carbazol-5-yl-13-(3-phenylphenyl)-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 170371568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).