4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C49H28N2O — CID 130325707

IUPAC4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1cc(-c2ncc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc32)c1
InChIInChI=1S/C49H28N2O/c1-2-12-34-29(9-1)20-24-46-48(34)41-27-31(21-23-45(41)52-46)30-19-22-44-40(26-30)37-15-5-6-18-43(37)51(44)33-11-7-10-32(25-33)49-39-17-8-16-38-35-13-3-4-14-36(35)42(28-50-49)47(38)39/h1-28H
InChIKeyLLMJZZWEFHZJOW-UHFFFAOYSA-N
MW660.78 g/mol
LogP13.37
Rot. Bonds3

About 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 130325707) has the molecular formula C49H28N2O and a molecular weight of 660.78 g/mol. Its IUPAC name is 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID130325707
Molecular FormulaC49H28N2O
Molecular Weight660.78 g/mol
Exact Mass660.22
IUPAC Name4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1cc(-c2ncc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc32)c1
InChIInChI=1S/C49H28N2O/c1-2-12-34-29(9-1)20-24-46-48(34)41-27-31(21-23-45(41)52-46)30-19-22-44-40(26-30)37-15-5-6-18-43(37)51(44)33-11-7-10-32(25-33)49-39-17-8-16-38-35-13-3-4-14-36(35)42(28-50-49)47(38)39/h1-28H
InChIKeyLLMJZZWEFHZJOW-UHFFFAOYSA-N
XLogP13.37
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325714
4-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325696
4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325724
4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325890
4-[3-[3-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325704
3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326018
7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130330976
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325755
2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325745
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301039

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 130325707) is 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1cc(-c2ncc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc32)c1.
What is the InChIKey of 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is LLMJZZWEFHZJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O/c1-2-12-34-29(9-1)20-24-46-48(34)41-27-31(21-23-45(41)52-46)30-19-22-44-40(26-30)37-15-5-6-18-43(37)51(44)33-11-7-10-32(25-33)49-39-17-8-16-38-35-13-3-4-14-36(35)42(28-50-49)47(38)39/h1-28H.
What are the key properties of 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 660.78 g/mol, XLogP of 13.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 130325707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).