5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole

C42H26NOP — CID 121310749

IUPAC5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole
SMILESc1ccc(-p2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c32)cc1
InChIInChI=1S/C42H26NOP/c1-2-10-30(11-3-1)45-40-17-9-6-13-33(40)34-24-25-37-41(42(34)45)35-14-4-7-15-36(35)43(37)29-21-18-27(19-22-29)28-20-23-32-31-12-5-8-16-38(31)44-39(32)26-28/h1-26H
InChIKeyQUTWOUCBJXSSRG-UHFFFAOYSA-N
MW591.65 g/mol
LogP12.63
Rot. Bonds3

About 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole

5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole (PubChem CID 121310749) has the molecular formula C42H26NOP and a molecular weight of 591.65 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole
PubChem CID121310749
Molecular FormulaC42H26NOP
Molecular Weight591.65 g/mol
Exact Mass591.18
IUPAC Name5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole
SMILESc1ccc(-p2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c32)cc1
InChIInChI=1S/C42H26NOP/c1-2-10-30(11-3-1)45-40-17-9-6-13-33(40)34-24-25-37-41(42(34)45)35-14-4-7-15-36(35)43(37)29-21-18-27(19-22-29)28-20-23-32-31-12-5-8-16-38(31)44-39(32)26-28/h1-26H
InChIKeyQUTWOUCBJXSSRG-UHFFFAOYSA-N
XLogP12.63
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.65
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170285118
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
14-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167192768
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014536
9-dibenzofuran-3-yl-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzofuran-3-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165079069
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole?
The IUPAC name of 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole (CID 121310749) is 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole is c1ccc(-p2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c32)cc1.
What is the InChIKey of 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole?
The InChIKey is QUTWOUCBJXSSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26NOP/c1-2-10-30(11-3-1)45-40-17-9-6-13-33(40)34-24-25-37-41(42(34)45)35-14-4-7-15-36(35)43(37)29-21-18-27(19-22-29)28-20-23-32-31-12-5-8-16-38(31)44-39(32)26-28/h1-26H.
What are the key properties of 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole?
5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole has a molecular weight of 591.65 g/mol, XLogP of 12.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-3-ylphenyl)-12-phenylphosphindolo[3,2-c]carbazole is sourced from PubChem (CID 121310749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).