12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole

C50H30N2O — CID 157381564

IUPAC12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7c8ccccc8oc7c5n6-c5cccc6ccccc56)ccc43)cccc2c1
InChIInChI=1S/C50H30N2O/c1-3-15-35-31(11-1)13-9-20-43(35)51-45-19-7-5-17-37(45)41-29-33(23-27-46(41)51)34-24-28-47-42(30-34)39-25-26-40-38-18-6-8-22-48(38)53-50(40)49(39)52(47)44-21-10-14-32-12-2-4-16-36(32)44/h1-30H
InChIKeyQBTVUOJFJJMZNL-UHFFFAOYSA-N
MW674.80 g/mol
LogP13.75
Rot. Bonds3

About 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole

12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 157381564) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID157381564
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7c8ccccc8oc7c5n6-c5cccc6ccccc56)ccc43)cccc2c1
InChIInChI=1S/C50H30N2O/c1-3-15-35-31(11-1)13-9-20-43(35)51-45-19-7-5-17-37(45)41-29-33(23-27-46(41)51)34-24-28-47-42(30-34)39-25-26-40-38-18-6-8-22-48(38)53-50(40)49(39)52(47)44-21-10-14-32-12-2-4-16-36(32)44/h1-30H
InChIKeyQBTVUOJFJJMZNL-UHFFFAOYSA-N
XLogP13.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967
3-(7-bromodibenzofuran-2-yl)-9-naphthalen-1-ylcarbazole
CID 129180922
11-dibenzofuran-4-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 167243675
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole (CID 157381564) is 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccc7c8ccccc8oc7c5n6-c5cccc6ccccc56)ccc43)cccc2c1.
What is the InChIKey of 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is QBTVUOJFJJMZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-3-15-35-31(11-1)13-9-20-43(35)51-45-19-7-5-17-37(45)41-29-33(23-27-46(41)51)34-24-28-47-42(30-34)39-25-26-40-38-18-6-8-22-48(38)53-50(40)49(39)52(47)44-21-10-14-32-12-2-4-16-36(32)44/h1-30H.
What are the key properties of 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole?
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 674.80 g/mol, XLogP of 13.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 157381564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).