2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole

C42H25N3O — CID 59147053

IUPAC2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1
InChIInChI=1S/C42H25N3O/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)44(37)25-17-19-35-31(21-25)32-23-34-33-22-26(18-20-41(33)46-42(34)24-36(32)43-35)45-39-15-7-3-11-29(39)30-12-4-8-16-40(30)45/h1-24,43H
InChIKeyYFHLBSDTNYWUMD-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.41
Rot. Bonds2

About 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole

2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole (PubChem CID 59147053) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole
PubChem CID59147053
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1
InChIInChI=1S/C42H25N3O/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)44(37)25-17-19-35-31(21-25)32-23-34-33-22-26(18-20-41(33)46-42(34)24-36(32)43-35)45-39-15-7-3-11-29(39)30-12-4-8-16-40(30)45/h1-24,43H
InChIKeyYFHLBSDTNYWUMD-UHFFFAOYSA-N
XLogP11.41
TPSA38.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147302
9-[18-[3,5-bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-[18-[3-(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-[18-[4-(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 159892311
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
CID 59147251
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574

Frequently Asked Questions

What is the IUPAC name of 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole (CID 59147053) is 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3cc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1.
What is the InChIKey of 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole?
The InChIKey is YFHLBSDTNYWUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)44(37)25-17-19-35-31(21-25)32-23-34-33-22-26(18-20-41(33)46-42(34)24-36(32)43-35)45-39-15-7-3-11-29(39)30-12-4-8-16-40(30)45/h1-24,43H.
What are the key properties of 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole?
2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole has a molecular weight of 587.68 g/mol, XLogP of 11.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-di(carbazol-9-yl)-7H-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 59147053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).