2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine

C54H30N4O2 — CID 155485481

IUPAC2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)ccc1oc3c(-c4nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)nc5c4oc4ccccc45)cccc3c12
InChIInChI=1S/C54H30N4O2/c1-3-14-34-31(12-1)24-27-45-48(34)41-30-33(57-42-21-8-5-16-36(42)37-17-6-9-22-43(37)57)26-28-44(41)58(45)54-55-50-38-18-7-10-23-46(38)59-53(50)51(56-54)40-20-11-19-39-49-35-15-4-2-13-32(35)25-29-47(49)60-52(39)40/h1-30H
InChIKeyGABPTVWNTCLAJO-UHFFFAOYSA-N
MW766.86 g/mol
LogP14.44
Rot. Bonds3

About 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine

2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 155485481) has the molecular formula C54H30N4O2 and a molecular weight of 766.86 g/mol. Its IUPAC name is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID155485481
Molecular FormulaC54H30N4O2
Molecular Weight766.86 g/mol
Exact Mass766.24
IUPAC Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)ccc1oc3c(-c4nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)nc5c4oc4ccccc45)cccc3c12
InChIInChI=1S/C54H30N4O2/c1-3-14-34-31(12-1)24-27-45-48(34)41-30-33(57-42-21-8-5-16-36(42)37-17-6-9-22-43(37)57)26-28-44(41)58(45)54-55-50-38-18-7-10-23-46(38)59-53(50)51(56-54)40-20-11-19-39-49-35-15-4-2-13-32(35)25-29-47(49)60-52(39)40/h1-30H
InChIKeyGABPTVWNTCLAJO-UHFFFAOYSA-N
XLogP14.44
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.86
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-dibenzofuran-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 146392071
2-(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)-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163664957
2,8-di(carbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134394265
9-benzo[c]carbazol-7-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[c]carbazol-7-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163669250
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 155485483
7-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 155485428
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 162472960
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433908
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-8-phenyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146391769
15-(5-naphthalen-2-ylindolo[3,2-b]carbazol-11-yl)-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 170371341
2-(1,10-diazanonacyclo[17.14.1.02,18.03,11.04,9.012,17.023,34.024,33.025,30]tetratriaconta-2(18),3(11),4,6,8,12,14,16,19,21,23(34),24(33),25,27,29,31-hexadecaen-10-yl)-4-naphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 163828346
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167453937

Frequently Asked Questions

What is the IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine (CID 155485481) is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)ccc1oc3c(-c4nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)nc5c4oc4ccccc45)cccc3c12.
What is the InChIKey of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GABPTVWNTCLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N4O2/c1-3-14-34-31(12-1)24-27-45-48(34)41-30-33(57-42-21-8-5-16-36(42)37-17-6-9-22-43(37)57)26-28-44(41)58(45)54-55-50-38-18-7-10-23-46(38)59-53(50)51(56-54)40-20-11-19-39-49-35-15-4-2-13-32(35)25-29-47(49)60-52(39)40/h1-30H.
What are the key properties of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine?
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 766.86 g/mol, XLogP of 14.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 155485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).