14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C42H25N3O — CID 137456617

IUPAC14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2)cc(-c2cnc3c(n2)oc2ccc4ccccc4c23)c1
InChIInChI=1S/C42H25N3O/c1-3-15-32-26(9-1)20-22-38-39(32)40-42(46-38)44-36(25-43-40)30-13-7-11-28(23-30)29-12-8-14-31(24-29)45-37-18-6-5-17-34(37)35-21-19-27-10-2-4-16-33(27)41(35)45/h1-25H
InChIKeyIZTJCDBITGKEHV-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 137456617) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID137456617
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2)cc(-c2cnc3c(n2)oc2ccc4ccccc4c23)c1
InChIInChI=1S/C42H25N3O/c1-3-15-32-26(9-1)20-22-38-39(32)40-42(46-38)44-36(25-43-40)30-13-7-11-28(23-30)29-12-8-14-31(24-29)45-37-18-6-5-17-34(37)35-21-19-27-10-2-4-16-33(27)41(35)45/h1-25H
InChIKeyIZTJCDBITGKEHV-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 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

14-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137442487
3,8-bis(3-benzo[a]carbazol-11-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 146600800
14-[9-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 168826445
14-[4-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137456946
3-[3-(4-phenylphenyl)phenyl]-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 122465787
N-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-N-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridin-8-amine
CID 170177307
6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146542762
3-(3-carbazol-9-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410317
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
CID 144568618
19-(3,5-diphenylphenyl)-3-oxa-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3,5-diphenylphenyl)-3-thia-16,19-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(26),20,22,24,27-tridecaene;19-(3,5-diphenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.07,12.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-(3-phenylphenyl)-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene;19-phenyl-3-thia-19,28-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,26.020,25]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,20,22,24,26-tridecaene
CID 158683715
3-[4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063751

Frequently Asked Questions

What is the IUPAC name of 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 137456617) is 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1cc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2)cc(-c2cnc3c(n2)oc2ccc4ccccc4c23)c1.
What is the InChIKey of 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is IZTJCDBITGKEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-3-15-32-26(9-1)20-22-38-39(32)40-42(46-38)44-36(25-43-40)30-13-7-11-28(23-30)29-12-8-14-31(24-29)45-37-18-6-5-17-34(37)35-21-19-27-10-2-4-16-33(27)41(35)45/h1-25H.
What are the key properties of 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-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 14-[3-(3-benzo[a]carbazol-11-ylphenyl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 137456617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).