[11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane

C46H31N4P — CID 143889833

IUPAC[11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(P(c6ccccc6)c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C46H31N4P/c1-5-17-32(18-6-1)40-31-41(33-19-7-2-8-20-33)48-46(47-40)49-42-27-15-13-25-36(42)38-29-30-39-37-26-14-16-28-43(37)50(45(39)44(38)49)51(34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-31H
InChIKeyVACKAUKDTJWIAT-UHFFFAOYSA-N
MW670.76 g/mol
LogP10.91
Rot. Bonds6

About [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane

[11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane (PubChem CID 143889833) has the molecular formula C46H31N4P and a molecular weight of 670.76 g/mol. Its IUPAC name is [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane.

Molecular Properties

Compound Name[11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane
PubChem CID143889833
Molecular FormulaC46H31N4P
Molecular Weight670.76 g/mol
Exact Mass670.23
IUPAC Name[11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(P(c6ccccc6)c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C46H31N4P/c1-5-17-32(18-6-1)40-31-41(33-19-7-2-8-20-33)48-46(47-40)49-42-27-15-13-25-36(42)38-29-30-39-37-26-14-16-28-43(37)50(45(39)44(38)49)51(34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-31H
InChIKeyVACKAUKDTJWIAT-UHFFFAOYSA-N
XLogP10.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.76
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,6-diphenylpyrimidin-2-yl)-1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaene
CID 118330731
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
12-[4,6-bis(6-phenyl-3-pyridinyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 58142345
11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169036862
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
11-dibenzothiophen-2-yl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 121385337
[3,5-bis(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-triphenyl-λ4-sulfane
CID 170108878
9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361300
12-carbazol-9-yl-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-carbazol-9-yl-11-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole;12-carbazol-9-yl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 159889633
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842
11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 158245863

Frequently Asked Questions

What is the IUPAC name of [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane?
The IUPAC name of [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane (CID 143889833) is [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane.
What is the SMILES notation for [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane?
The canonical SMILES for [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(P(c6ccccc6)c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane?
The InChIKey is VACKAUKDTJWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N4P/c1-5-17-32(18-6-1)40-31-41(33-19-7-2-8-20-33)48-46(47-40)49-42-27-15-13-25-36(42)38-29-30-39-37-26-14-16-28-43(37)50(45(39)44(38)49)51(34-21-9-3-10-22-34)35-23-11-4-12-24-35/h1-31H.
What are the key properties of [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane?
[11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane has a molecular weight of 670.76 g/mol, XLogP of 10.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazol-12-yl]-diphenylphosphane is sourced from PubChem (CID 143889833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).