2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole

C45H26N2O2 — CID 171755372

IUPAC2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc3ccc4c(c5ccccc5n4-c4cc5oc6c7ccccc7ccc6c5cc4-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C45H26N2O2/c1-2-11-27(12-3-1)30-17-10-14-29-22-24-38-43(42(29)30)33-16-6-8-19-37(33)47(38)39-26-41-34(25-35(39)45-46-36-18-7-9-20-40(36)49-45)32-23-21-28-13-4-5-15-31(28)44(32)48-41/h1-26H
InChIKeyMXCMYXBMRNPFSV-UHFFFAOYSA-N
MW626.72 g/mol
LogP12.46
Rot. Bonds3

About 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole

2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole (PubChem CID 171755372) has the molecular formula C45H26N2O2 and a molecular weight of 626.72 g/mol. Its IUPAC name is 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole
PubChem CID171755372
Molecular FormulaC45H26N2O2
Molecular Weight626.72 g/mol
Exact Mass626.20
IUPAC Name2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc3ccc4c(c5ccccc5n4-c4cc5oc6c7ccccc7ccc6c5cc4-c4nc5ccccc5o4)c23)cc1
InChIInChI=1S/C45H26N2O2/c1-2-11-27(12-3-1)30-17-10-14-29-22-24-38-43(42(29)30)33-16-6-8-19-37(33)47(38)39-26-41-34(25-35(39)45-46-36-18-7-9-20-40(36)49-45)32-23-21-28-13-4-5-15-31(28)44(32)48-41/h1-26H
InChIKeyMXCMYXBMRNPFSV-UHFFFAOYSA-N
XLogP12.46
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole
CID 171755384
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3-benzoxazole
CID 155444593
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155004722
12-[9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700266
2-[5-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)naphtho[2,1-b][1]benzofuran-10-yl]-1,3-benzoxazole
CID 171754197
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]benzo[c]carbazole
CID 166495719
7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[c]carbazole
CID 167032684
9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole
CID 59147563
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
carbanide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 159261054
2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
CID 46187140

Frequently Asked Questions

What is the IUPAC name of 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole?
The IUPAC name of 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole (CID 171755372) is 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole is c1ccc(-c2cccc3ccc4c(c5ccccc5n4-c4cc5oc6c7ccccc7ccc6c5cc4-c4nc5ccccc5o4)c23)cc1.
What is the InChIKey of 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole?
The InChIKey is MXCMYXBMRNPFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O2/c1-2-11-27(12-3-1)30-17-10-14-29-22-24-38-43(42(29)30)33-16-6-8-19-37(33)47(38)39-26-41-34(25-35(39)45-46-36-18-7-9-20-40(36)49-45)32-23-21-28-13-4-5-15-31(28)44(32)48-41/h1-26H.
What are the key properties of 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole?
2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole has a molecular weight of 626.72 g/mol, XLogP of 12.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole is sourced from PubChem (CID 171755372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).