9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole

C47H30N2O — CID 163750210

IUPAC9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C47H30N2O/c1-4-12-31(13-5-1)34-20-23-38-39-24-21-35(36-26-42(32-14-6-2-7-15-32)48-43(27-36)33-16-8-3-9-17-33)29-45(39)49(44(38)28-34)37-22-25-41-40-18-10-11-19-46(40)50-47(41)30-37/h1-30H
InChIKeyLPIPJAFGKAHCHR-UHFFFAOYSA-N
MW638.77 g/mol
LogP12.75
Rot. Bonds5

About 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole

9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole (PubChem CID 163750210) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
PubChem CID163750210
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC Name9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1
InChIInChI=1S/C47H30N2O/c1-4-12-31(13-5-1)34-20-23-38-39-24-21-35(36-26-42(32-14-6-2-7-15-32)48-43(27-36)33-16-8-3-9-17-33)29-45(39)49(44(38)28-34)37-22-25-41-40-18-10-11-19-46(40)50-47(41)30-37/h1-30H
InChIKeyLPIPJAFGKAHCHR-UHFFFAOYSA-N
XLogP12.75
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139555285
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146519902
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118488600
9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole
CID 146647922
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768728
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
5-dibenzofuran-3-yl-7-[4-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847658
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 146336156

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole?
The IUPAC name of 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole (CID 163750210) is 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole.
What is the SMILES notation for 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole?
The canonical SMILES for 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole is c1ccc(-c2ccc3c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc4n(-c4ccc5c(c4)oc4ccccc45)c3c2)cc1.
What is the InChIKey of 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole?
The InChIKey is LPIPJAFGKAHCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-4-12-31(13-5-1)34-20-23-38-39-24-21-35(36-26-42(32-14-6-2-7-15-32)48-43(27-36)33-16-8-3-9-17-33)29-45(39)49(44(38)28-34)37-22-25-41-40-18-10-11-19-46(40)50-47(41)30-37/h1-30H.
What are the key properties of 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole?
9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole has a molecular weight of 638.77 g/mol, XLogP of 12.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole is sourced from PubChem (CID 163750210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).