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

C100H62N4O2 — CID 160760258

IUPAC3-[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
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4)cc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccc7c8ccccc8oc7c5n6-c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C52H32N2O.C48H30N2O/c1-2-12-39(13-3-1)54-49-29-24-38(32-46(49)43-26-27-44-42-15-7-9-17-50(42)55-52(44)51(43)54)35-20-18-34(19-21-35)37-23-28-48-45(31-37)41-14-6-8-16-47(41)53(48)40-25-22-33-10-4-5-11-36(33)30-40;1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)41-29-33(23-27-44(41)49)31-19-21-32(22-20-31)34-24-28-45-42(30-34)39-25-26-40-38-16-8-10-18-46(38)51-48(40)47(39)50(45)36-13-5-2-6-14-36/h1-32H;1-30H
InChIKeyRXYTZAWGXPZOJZ-UHFFFAOYSA-N
MW1351.62 g/mol
LogP27.38
Rot. Bonds8

About 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

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 (PubChem CID 160760258) has the molecular formula C100H62N4O2 and a molecular weight of 1351.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID160760258
Molecular FormulaC100H62N4O2
Molecular Weight1351.62 g/mol
Exact Mass1350.49
IUPAC Name3-[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
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4)cc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccc7c8ccccc8oc7c5n6-c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C52H32N2O.C48H30N2O/c1-2-12-39(13-3-1)54-49-29-24-38(32-46(49)43-26-27-44-42-15-7-9-17-50(42)55-52(44)51(43)54)35-20-18-34(19-21-35)37-23-28-48-45(31-37)41-14-6-8-16-47(41)53(48)40-25-22-33-10-4-5-11-36(33)30-40;1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)41-29-33(23-27-44(41)49)31-19-21-32(22-20-31)34-24-28-45-42(30-34)39-25-26-40-38-16-8-10-18-46(38)51-48(40)47(39)50(45)36-13-5-2-6-14-36/h1-32H;1-30H
InChIKeyRXYTZAWGXPZOJZ-UHFFFAOYSA-N
XLogP27.38
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.62
LogP ≤ 527.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223766
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
3-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223675
15-naphthalen-2-yl-3-oxa-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 118652925
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
9-naphthalen-2-yl-3-naphtho[1,2-b][1]benzofuran-8-ylcarbazole
CID 118919642

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc4)cc3c3ccc4c5ccccc5oc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccc7c8ccccc8oc7c5n6-c5ccccc5)cc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is RXYTZAWGXPZOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O.C48H30N2O/c1-2-12-39(13-3-1)54-49-29-24-38(32-46(49)43-26-27-44-42-15-7-9-17-50(42)55-52(44)51(43)54)35-20-18-34(19-21-35)37-23-28-48-45(31-37)41-14-6-8-16-47(41)53(48)40-25-22-33-10-4-5-11-36(33)30-40;1-3-11-35(12-4-1)49-43-17-9-7-15-37(43)41-29-33(23-27-44(41)49)31-19-21-32(22-20-31)34-24-28-45-42(30-34)39-25-26-40-38-16-8-10-18-46(38)51-48(40)47(39)50(45)36-13-5-2-6-14-36/h1-32H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 1351.62 g/mol, XLogP of 27.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160760258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).