4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C40H24N2O — CID 164795179

IUPAC4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Oc1cccc3c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)cc4n-2c13
InChIInChI=1S/C40H24N2O/c1-2-9-29-26(8-1)19-23-35-39(29)32-10-3-4-12-33(32)41(35)28-20-16-25(17-21-28)27-18-22-30-31-11-7-15-38-40(31)42(36(30)24-27)34-13-5-6-14-37(34)43-38/h1-24H
InChIKeyYCGWPKCJWIJDSH-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.81
Rot. Bonds2

About 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 164795179) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
PubChem CID164795179
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Oc1cccc3c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)cc4n-2c13
InChIInChI=1S/C40H24N2O/c1-2-9-29-26(8-1)19-23-35-39(29)32-10-3-4-12-33(32)41(35)28-20-16-25(17-21-28)27-18-22-30-31-11-7-15-38-40(31)42(36(30)24-27)34-13-5-6-14-37(34)43-38/h1-24H
InChIKeyYCGWPKCJWIJDSH-UHFFFAOYSA-N
XLogP10.81
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

6-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795181
4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795640
17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795779
9-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 164795583
4-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795320
5-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795226
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 134168605
3-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351412
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
3-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole;7-naphthalen-1-yl-10-(9-naphthalen-2-ylcarbazol-2-yl)benzo[c]carbazole;9-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 157495680

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 164795179) is 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is c1ccc2c(c1)Oc1cccc3c4ccc(-c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5)cc4n-2c13.
What is the InChIKey of 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The InChIKey is YCGWPKCJWIJDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-9-29-26(8-1)19-23-35-39(29)32-10-3-4-12-33(32)41(35)28-20-16-25(17-21-28)27-18-22-30-31-11-7-15-38-40(31)42(36(30)24-27)34-13-5-6-14-37(34)43-38/h1-24H.
What are the key properties of 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 548.65 g/mol, XLogP of 10.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzo[c]carbazol-7-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).