12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole

C48H30N2O — CID 134530401

IUPAC12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)32-23-26-35(27-24-32)49-42-20-10-7-17-36(42)40-29-33(25-28-44(40)49)39-30-41-37-18-8-11-21-43(37)50(34-15-5-2-6-16-34)47(41)46-38-19-9-12-22-45(38)51-48(39)46/h1-30H
InChIKeyLMXWDTNOCCDYPE-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole

12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 134530401) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
PubChem CID134530401
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)32-23-26-35(27-24-32)49-42-20-10-7-17-36(42)40-29-33(25-28-44(40)49)39-30-41-37-18-8-11-21-43(37)50(34-15-5-2-6-16-34)47(41)46-38-19-9-12-22-45(38)51-48(39)46/h1-30H
InChIKeyLMXWDTNOCCDYPE-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
9-[4-(9-phenylcarbazol-3-yl)phenyl]-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118488580
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
27-(9-phenylcarbazol-3-yl)-9,18-dioxa-27-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 149129476
4-phenyl-N-[4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 135225140
11,14-bis(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513515
12-phenyl-6-[9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530407

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole (CID 134530401) is 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7n(-c7ccccc7)c6c6c5oc5ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is LMXWDTNOCCDYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)32-23-26-35(27-24-32)49-42-20-10-7-17-36(42)40-29-33(25-28-44(40)49)39-30-41-37-18-8-11-21-43(37)50(34-15-5-2-6-16-34)47(41)46-38-19-9-12-22-45(38)51-48(39)46/h1-30H.
What are the key properties of 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole?
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 134530401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).