2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole

C41H24N2O2 — CID 174338571

IUPAC2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(-c2ccc(-c3nc4ccc5oc6ccccc6c5c4o3)cc2)cc1
InChIInChI=1S/C41H24N2O2/c1-2-8-30-27(7-1)19-23-35-38(30)31-9-3-5-11-34(31)43(35)29-20-17-26(18-21-29)25-13-15-28(16-14-25)41-42-33-22-24-37-39(40(33)45-41)32-10-4-6-12-36(32)44-37/h1-24H
InChIKeyNIYNXBXVGQYXRX-UHFFFAOYSA-N
MW576.66 g/mol
LogP11.31
Rot. Bonds3

About 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole

2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 174338571) has the molecular formula C41H24N2O2 and a molecular weight of 576.66 g/mol. Its IUPAC name is 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID174338571
Molecular FormulaC41H24N2O2
Molecular Weight576.66 g/mol
Exact Mass576.18
IUPAC Name2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(-c2ccc(-c3nc4ccc5oc6ccccc6c5c4o3)cc2)cc1
InChIInChI=1S/C41H24N2O2/c1-2-8-30-27(7-1)19-23-35-38(30)31-9-3-5-11-34(31)43(35)29-20-17-26(18-21-29)25-13-15-28(16-14-25)41-42-33-22-24-37-39(40(33)45-41)32-10-4-6-12-36(32)44-37/h1-24H
InChIKeyNIYNXBXVGQYXRX-UHFFFAOYSA-N
XLogP11.31
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
CID 135169606
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
2-[6-[4-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)naphthalen-2-yl]-6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[6-[4-(6-benzo[c]carbazol-7-ylnaphthalen-2-yl)-6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[4-[4-(6-benzo[c]carbazol-7-ylnaphthalen-2-yl)-6-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 159183156
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
2-phenyl-N-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123428
N-(4-benzo[c]carbazol-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 167038212
5-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-oxa-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 163579151
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
9-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylbenzo[g]carbazol-9-yl)naphtho[2,1-g][1,3]benzoxazole
CID 135253542
14-[4-[2,4-bis[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]quinazolin-6-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126630994

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 174338571) is 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(-c2ccc(-c3nc4ccc5oc6ccccc6c5c4o3)cc2)cc1.
What is the InChIKey of 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is NIYNXBXVGQYXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O2/c1-2-8-30-27(7-1)19-23-35-38(30)31-9-3-5-11-34(31)43(35)29-20-17-26(18-21-29)25-13-15-28(16-14-25)41-42-33-22-24-37-39(40(33)45-41)32-10-4-6-12-36(32)44-37/h1-24H.
What are the key properties of 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 576.66 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 174338571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).