3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole

C40H27NO — CID 177127407

IUPAC3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole
SMILESC1=CC2CC=CC3=C2C(=C1)Oc1ccc(-c2ccc4c(c2)c2ccccc2n4-c2cccc(-c4ccccc4)c2)cc13
InChIInChI=1S/C40H27NO/c1-2-9-26(10-3-1)28-13-6-14-31(23-28)41-36-17-5-4-15-32(36)34-24-29(19-21-37(34)41)30-20-22-38-35(25-30)33-16-7-11-27-12-8-18-39(42-38)40(27)33/h1-10,12-25,27H,11H2
InChIKeyBOFYMNPVHFTRRI-UHFFFAOYSA-N
MW537.66 g/mol
LogP10.29
Rot. Bonds3

About 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole

3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 177127407) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole
PubChem CID177127407
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC Name3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole
SMILESC1=CC2CC=CC3=C2C(=C1)Oc1ccc(-c2ccc4c(c2)c2ccccc2n4-c2cccc(-c4ccccc4)c2)cc13
InChIInChI=1S/C40H27NO/c1-2-9-26(10-3-1)28-13-6-14-31(23-28)41-36-17-5-4-15-32(36)34-24-29(19-21-37(34)41)30-20-22-38-35(25-30)33-16-7-11-27-12-8-18-39(42-38)40(27)33/h1-10,12-25,27H,11H2
InChIKeyBOFYMNPVHFTRRI-UHFFFAOYSA-N
XLogP10.29
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
6-methyl-23-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,8,10,12,15,17,19,21(25),22-undecaene
CID 121355780
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129298687
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole (CID 177127407) is 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole is C1=CC2CC=CC3=C2C(=C1)Oc1ccc(-c2ccc4c(c2)c2ccccc2n4-c2cccc(-c4ccccc4)c2)cc13.
What is the InChIKey of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is BOFYMNPVHFTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-2-9-26(10-3-1)28-13-6-14-31(23-28)41-36-17-5-4-15-32(36)34-24-29(19-21-37(34)41)30-20-22-38-35(25-30)33-16-7-11-27-12-8-18-39(42-38)40(27)33/h1-10,12-25,27H,11H2.
What are the key properties of 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole?
3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 537.66 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,15-heptaen-4-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 177127407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).