10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole

C44H27NO — CID 170041000

IUPAC10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(-c5ccc(-c6ccc7c(c6)-c6cccc8cccc(c68)O7)cc5)cccc4cc32)cc1
InChIInChI=1S/C44H27NO/c1-2-12-33(13-3-1)45-40-17-5-4-14-35(40)38-27-37-32(26-41(38)45)11-7-15-34(37)29-21-19-28(20-22-29)31-23-24-42-39(25-31)36-16-6-9-30-10-8-18-43(46-42)44(30)36/h1-27H
InChIKeyHZEBXDMNWCRQFJ-UHFFFAOYSA-N
MW585.71 g/mol
LogP12.20
Rot. Bonds3

About 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole

10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole (PubChem CID 170041000) has the molecular formula C44H27NO and a molecular weight of 585.71 g/mol. Its IUPAC name is 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
PubChem CID170041000
Molecular FormulaC44H27NO
Molecular Weight585.71 g/mol
Exact Mass585.21
IUPAC Name10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(-c5ccc(-c6ccc7c(c6)-c6cccc8cccc(c68)O7)cc5)cccc4cc32)cc1
InChIInChI=1S/C44H27NO/c1-2-12-33(13-3-1)45-40-17-5-4-14-35(40)38-27-37-32(26-41(38)45)11-7-15-34(37)29-21-19-28(20-22-29)31-23-24-42-39(25-31)36-16-6-9-30-10-8-18-43(46-42)44(30)36/h1-27H
InChIKeyHZEBXDMNWCRQFJ-UHFFFAOYSA-N
XLogP12.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole with MolForge

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Related Compounds

7-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041070
9-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-5-phenylbenzo[b]carbazole
CID 170037476
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 118532761
2-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170039373
3-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041254
[4-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)carbazol-9-yl]phenyl]-diphenylborane
CID 177127194
12-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 170044544
10-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170043573
5-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]phenyl]benzo[b]carbazole
CID 170183111
3-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170044731
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
9-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170043038

Frequently Asked Questions

What is the IUPAC name of 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole?
The IUPAC name of 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole (CID 170041000) is 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole.
What is the SMILES notation for 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole?
The canonical SMILES for 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(-c5ccc(-c6ccc7c(c6)-c6cccc8cccc(c68)O7)cc5)cccc4cc32)cc1.
What is the InChIKey of 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole?
The InChIKey is HZEBXDMNWCRQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO/c1-2-12-33(13-3-1)45-40-17-5-4-14-35(40)38-27-37-32(26-41(38)45)11-7-15-34(37)29-21-19-28(20-22-29)31-23-24-42-39(25-31)36-16-6-9-30-10-8-18-43(46-42)44(30)36/h1-27H.
What are the key properties of 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole?
10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole has a molecular weight of 585.71 g/mol, XLogP of 12.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole is sourced from PubChem (CID 170041000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).