10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline

C29H18N4 — CID 122427909

IUPAC10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline
SMILESc1ccc(-c2ccc3c(c2)c2ncncc2n3-c2cccc3ccc4cccnc4c23)cc1
InChIInChI=1S/C29H18N4/c1-2-6-19(7-3-1)22-13-14-24-23(16-22)29-26(17-30-18-32-29)33(24)25-10-4-8-20-11-12-21-9-5-15-31-28(21)27(20)25/h1-18H
InChIKeyCEYDHRQELIOJML-UHFFFAOYSA-N
MW422.49 g/mol
LogP6.94
Rot. Bonds2

About 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline

10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline (PubChem CID 122427909) has the molecular formula C29H18N4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline
PubChem CID122427909
Molecular FormulaC29H18N4
Molecular Weight422.49 g/mol
Exact Mass422.15
IUPAC Name10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline
SMILESc1ccc(-c2ccc3c(c2)c2ncncc2n3-c2cccc3ccc4cccnc4c23)cc1
InChIInChI=1S/C29H18N4/c1-2-6-19(7-3-1)22-13-14-24-23(16-22)29-26(17-30-18-32-29)33(24)25-10-4-8-20-11-12-21-9-5-15-31-28(21)27(20)25/h1-18H
InChIKeyCEYDHRQELIOJML-UHFFFAOYSA-N
XLogP6.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
5-methyl-8-phenylpyrido[3,2-b]indole
CID 118000252
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-quinolin-8-ylcarbazole-3-carbonitrile
CID 118152689
5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide
CID 118003298
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
14-(4-phenylphenyl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 71229956
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633

Frequently Asked Questions

What is the IUPAC name of 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline?
The IUPAC name of 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline (CID 122427909) is 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline?
The canonical SMILES for 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline is c1ccc(-c2ccc3c(c2)c2ncncc2n3-c2cccc3ccc4cccnc4c23)cc1.
What is the InChIKey of 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline?
The InChIKey is CEYDHRQELIOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4/c1-2-6-19(7-3-1)22-13-14-24-23(16-22)29-26(17-30-18-32-29)33(24)25-10-4-8-20-11-12-21-9-5-15-31-28(21)27(20)25/h1-18H.
What are the key properties of 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline?
10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline has a molecular weight of 422.49 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline is sourced from PubChem (CID 122427909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).