2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline

C46H28N6 — CID 156577563

IUPAC2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4ccc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1
InChIInChI=1S/C46H28N6/c1-3-12-30(13-4-1)45-49-42(31-22-25-40-37(28-31)34-17-8-9-19-38(34)51(40)32-14-5-2-6-15-32)36-24-21-29-23-26-41(48-43(29)44(36)50-45)52-39-20-10-7-16-33(39)35-18-11-27-47-46(35)52/h1-28H
InChIKeyTWNQYKGAXOPMEG-UHFFFAOYSA-N
MW664.77 g/mol
LogP11.10
Rot. Bonds4

About 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline

2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline (PubChem CID 156577563) has the molecular formula C46H28N6 and a molecular weight of 664.77 g/mol. Its IUPAC name is 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
PubChem CID156577563
Molecular FormulaC46H28N6
Molecular Weight664.77 g/mol
Exact Mass664.24
IUPAC Name2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4ccc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1
InChIInChI=1S/C46H28N6/c1-3-12-30(13-4-1)45-49-42(31-22-25-40-37(28-31)34-17-8-9-19-38(34)51(40)32-14-5-2-6-15-32)36-24-21-29-23-26-41(48-43(29)44(36)50-45)52-39-20-10-7-16-33(39)35-18-11-27-47-46(35)52/h1-28H
InChIKeyTWNQYKGAXOPMEG-UHFFFAOYSA-N
XLogP11.10
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
CID 156577559
2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
CID 118403826
4-dibenzofuran-2-yl-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline
CID 164779869
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
CID 164779900
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
4-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-phenylbenzo[h]quinazoline
CID 121401961
4-(2,3-dihydro-1-benzofuran-6-yl)-2,9-bis(pyrido[2,3-b]indol-9-yl)pyrido[3,2-h]quinazoline
CID 164779883
4-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 121401969
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?
The IUPAC name of 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline (CID 156577563) is 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?
The canonical SMILES for 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4ccc(-n5c6ccccc6c6cccnc65)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?
The InChIKey is TWNQYKGAXOPMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6/c1-3-12-30(13-4-1)45-49-42(31-22-25-40-37(28-31)34-17-8-9-19-38(34)51(40)32-14-5-2-6-15-32)36-24-21-29-23-26-41(48-43(29)44(36)50-45)52-39-20-10-7-16-33(39)35-18-11-27-47-46(35)52/h1-28H.
What are the key properties of 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?
2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline has a molecular weight of 664.77 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 156577563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).