12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C172H104N16 — CID 163645821

IUPAC12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cnc7c8ccccc8c8ccccc8c7n6)c5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5c43)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc6c7ccccc7c7ccccc7c6n5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ncc6c7ccccc7c7ccccc7c6n5)c4c32)cc1
InChIInChI=1S/2C46H28N4.2C40H24N4/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)49-40-20-10-8-16-34(40)38-26-27-39-35-17-9-11-21-41(35)50(46(39)45(38)49)42-28-47-43-36-18-6-4-14-32(36)33-15-5-7-19-37(33)44(43)48-42;1-2-12-29(13-3-1)30-22-24-31(25-23-30)49-41-20-10-8-17-35(41)38-26-27-39-36-18-9-11-21-42(36)50(45(39)44(38)49)46-47-28-40-34-16-5-4-14-32(34)33-15-6-7-19-37(33)43(40)48-46;1-2-12-25(13-3-1)43-34-20-10-8-16-28(34)32-22-23-33-29-17-9-11-21-35(29)44(40(33)39(32)43)36-24-41-37-30-18-6-4-14-26(30)27-15-5-7-19-31(27)38(37)42-36;1-2-12-25(13-3-1)43-35-20-10-8-17-29(35)32-22-23-33-30-18-9-11-21-36(30)44(39(33)38(32)43)40-41-24-34-28-16-5-4-14-26(28)27-15-6-7-19-31(27)37(34)42-40/h2*1-28H;2*1-24H
InChIKeyIIDALVHQYMRCFC-UHFFFAOYSA-N
MW2394.84 g/mol
LogP43.86
Rot. Bonds10

About 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole

12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 163645821) has the molecular formula C172H104N16 and a molecular weight of 2394.84 g/mol. Its IUPAC name is 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID163645821
Molecular FormulaC172H104N16
Molecular Weight2394.84 g/mol
Exact Mass2392.86
IUPAC Name12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cnc7c8ccccc8c8ccccc8c7n6)c5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5c43)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc6c7ccccc7c7ccccc7c6n5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ncc6c7ccccc7c7ccccc7c6n5)c4c32)cc1
InChIInChI=1S/2C46H28N4.2C40H24N4/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)49-40-20-10-8-16-34(40)38-26-27-39-35-17-9-11-21-41(35)50(46(39)45(38)49)42-28-47-43-36-18-6-4-14-32(36)33-15-5-7-19-37(33)44(43)48-42;1-2-12-29(13-3-1)30-22-24-31(25-23-30)49-41-20-10-8-17-35(41)38-26-27-39-36-18-9-11-21-42(36)50(45(39)44(38)49)46-47-28-40-34-16-5-4-14-32(34)33-15-6-7-19-37(33)43(40)48-46;1-2-12-25(13-3-1)43-34-20-10-8-16-28(34)32-22-23-33-29-17-9-11-21-35(29)44(40(33)39(32)43)36-24-41-37-30-18-6-4-14-26(30)27-15-5-7-19-31(27)38(37)42-36;1-2-12-25(13-3-1)43-35-20-10-8-17-29(35)32-22-23-33-30-18-9-11-21-36(30)44(39(33)38(32)43)40-41-24-34-28-16-5-4-14-26(28)27-15-6-7-19-31(27)37(34)42-40/h2*1-28H;2*1-24H
InChIKeyIIDALVHQYMRCFC-UHFFFAOYSA-N
XLogP43.86
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002394.84
LogP ≤ 543.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 163645821) is 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cnc7c8ccccc8c8ccccc8c7n6)c5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncc7c8ccccc8c8ccccc8c7n6)c5c43)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cnc6c7ccccc7c7ccccc7c6n5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ncc6c7ccccc7c7ccccc7c6n5)c4c32)cc1.
What is the InChIKey of 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is IIDALVHQYMRCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N4.2C40H24N4/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)49-40-20-10-8-16-34(40)38-26-27-39-35-17-9-11-21-41(35)50(46(39)45(38)49)42-28-47-43-36-18-6-4-14-32(36)33-15-5-7-19-37(33)44(43)48-42;1-2-12-29(13-3-1)30-22-24-31(25-23-30)49-41-20-10-8-17-35(41)38-26-27-39-36-18-9-11-21-42(36)50(45(39)44(38)49)46-47-28-40-34-16-5-4-14-32(34)33-15-6-7-19-37(33)43(40)48-46;1-2-12-25(13-3-1)43-34-20-10-8-16-28(34)32-22-23-33-29-17-9-11-21-35(29)44(40(33)39(32)43)36-24-41-37-30-18-6-4-14-26(30)27-15-5-7-19-31(27)38(37)42-36;1-2-12-25(13-3-1)43-35-20-10-8-17-29(35)32-22-23-33-30-18-9-11-21-36(30)44(39(33)38(32)43)40-41-24-34-28-16-5-4-14-26(28)27-15-6-7-19-31(27)37(34)42-40/h2*1-28H;2*1-24H.
What are the key properties of 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 2394.84 g/mol, XLogP of 43.86, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenanthro[9,10-b]pyrazin-3-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-b]pyrazin-3-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-phenylindolo[2,3-a]carbazole;12-phenanthro[9,10-d]pyrimidin-2-yl-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 163645821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).