2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole

C39H22N2O2 — CID 167453250

IUPAC2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc2cc(-c3cc4oc5ccccc5c4c4oc(-n5c6ccccc6c6c7ccccc7ccc65)nc34)ccc2c1
InChIInChI=1S/C39H22N2O2/c1-2-11-25-21-26(18-17-23(25)9-1)30-22-34-36(29-14-6-8-16-33(29)42-34)38-37(30)40-39(43-38)41-31-15-7-5-13-28(31)35-27-12-4-3-10-24(27)19-20-32(35)41/h1-22H
InChIKeyLSUWRGYMFORNHF-UHFFFAOYSA-N
MW550.62 g/mol
LogP10.80
Rot. Bonds2

About 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole

2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167453250) has the molecular formula C39H22N2O2 and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167453250
Molecular FormulaC39H22N2O2
Molecular Weight550.62 g/mol
Exact Mass550.17
IUPAC Name2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc2cc(-c3cc4oc5ccccc5c4c4oc(-n5c6ccccc6c6c7ccccc7ccc65)nc34)ccc2c1
InChIInChI=1S/C39H22N2O2/c1-2-11-25-21-26(18-17-23(25)9-1)30-22-34-36(29-14-6-8-16-33(29)42-34)38-37(30)40-39(43-38)41-31-15-7-5-13-28(31)35-27-12-4-3-10-24(27)19-20-32(35)41/h1-22H
InChIKeyLSUWRGYMFORNHF-UHFFFAOYSA-N
XLogP10.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 167453334
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
1-[(4-benzo[c]carbazol-7-ylphenyl)methoxy]-3-naphthalen-2-yldibenzofuran-2-amine
CID 167454018
7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253549
12-(4-naphthalen-2-yl-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163618380
2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174338571
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
12-[3-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-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 167347382
2-[3-(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)phenyl]-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 163454069
4-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaen-3-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 138708777
7-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]benzo[c]carbazole
CID 166496105
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167453250) is 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc2cc(-c3cc4oc5ccccc5c4c4oc(-n5c6ccccc6c6c7ccccc7ccc65)nc34)ccc2c1.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is LSUWRGYMFORNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2O2/c1-2-11-25-21-26(18-17-23(25)9-1)30-22-34-36(29-14-6-8-16-33(29)42-34)38-37(30)40-39(43-38)41-31-15-7-5-13-28(31)35-27-12-4-3-10-24(27)19-20-32(35)41/h1-22H.
What are the key properties of 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 550.62 g/mol, XLogP of 10.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167453250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).