[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane

C42H27N2OP — CID 163560913

IUPAC[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane
SMILESPc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1
InChIInChI=1S/C42H27N2OP/c46-39-20-10-18-36(44-33-16-7-4-13-28(33)29-14-5-8-17-34(29)44)40(39)26-21-23-35-32(25-26)41-37(43(35)27-11-2-1-3-12-27)24-22-31-30-15-6-9-19-38(30)45-42(31)41/h1-25H,46H2
InChIKeyFRDKNGHWIJTOQO-UHFFFAOYSA-N
MW606.67 g/mol
LogP10.95
Rot. Bonds3

About [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane

[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane (PubChem CID 163560913) has the molecular formula C42H27N2OP and a molecular weight of 606.67 g/mol. Its IUPAC name is [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane
PubChem CID163560913
Molecular FormulaC42H27N2OP
Molecular Weight606.67 g/mol
Exact Mass606.19
IUPAC Name[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane
SMILESPc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1
InChIInChI=1S/C42H27N2OP/c46-39-20-10-18-36(44-33-16-7-4-13-28(33)29-14-5-8-17-34(29)44)40(39)26-21-23-35-32(25-26)41-37(43(35)27-11-2-1-3-12-27)24-22-31-30-15-6-9-19-38(30)45-42(31)41/h1-25H,46H2
InChIKeyFRDKNGHWIJTOQO-UHFFFAOYSA-N
XLogP10.95
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
2-(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)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
9-[3-cyano-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]carbazole-3-carbonitrile
CID 126577577
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
3,6-bis[2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 121324538
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676

Frequently Asked Questions

What is the IUPAC name of [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane?
The IUPAC name of [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane (CID 163560913) is [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane.
What is the SMILES notation for [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane?
The canonical SMILES for [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane is Pc1cccc(-n2c3ccccc3c3ccccc32)c1-c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1ccccc1.
What is the InChIKey of [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane?
The InChIKey is FRDKNGHWIJTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N2OP/c46-39-20-10-18-36(44-33-16-7-4-13-28(33)29-14-5-8-17-34(29)44)40(39)26-21-23-35-32(25-26)41-37(43(35)27-11-2-1-3-12-27)24-22-31-30-15-6-9-19-38(30)45-42(31)41/h1-25H,46H2.
What are the key properties of [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane?
[3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane has a molecular weight of 606.67 g/mol, XLogP of 10.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carbazol-9-yl-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)phenyl]phosphane is sourced from PubChem (CID 163560913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).