2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline

C46H27N3O — CID 142569844

IUPAC2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-14-30(15-3-1)42-38-26-24-29-13-5-7-17-32(29)43(38)48-46(47-42)49-39-23-9-8-18-33(39)34-19-10-20-35(44(34)49)36-21-11-22-37-41-31-16-6-4-12-28(31)25-27-40(41)50-45(36)37/h1-27H
InChIKeyRFIVFAPJCSGULE-UHFFFAOYSA-N
MW637.74 g/mol
LogP12.27
Rot. Bonds3

About 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline

2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline (PubChem CID 142569844) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
PubChem CID142569844
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c43)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-14-30(15-3-1)42-38-26-24-29-13-5-7-17-32(29)43(38)48-46(47-42)49-39-23-9-8-18-33(39)34-19-10-20-35(44(34)49)36-21-11-22-37-41-31-16-6-4-12-28(31)25-27-40(41)50-45(36)37/h1-27H
InChIKeyRFIVFAPJCSGULE-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 512.27
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

4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142571530
12-(13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-15-yl)-[1]benzofuro[2,3-a]carbazole
CID 170371290
10-(4-phenylbenzo[h]quinazolin-2-yl)-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 167271816
11-(4,6-diphenylpyrimidin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
CID 142571640
13-(4-phenylbenzo[h]quinazolin-2-yl)-13,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),7,9,11,16,20,22,24,26(30),27-tetradecaene
CID 134436025
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
24-naphthalen-1-yl-15-(4-phenylbenzo[h]quinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679609
5-carbazol-9-yl-7-phenyl-12-oxa-4,6-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 154600868
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-9-yl]-4-phenylbenzo[h]quinazoline
CID 122497102
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-8-yl-[1]benzofuro[3,2-d]pyrimidine
CID 155485481
3-(4-phenylbenzo[h]quinazolin-2-yl)-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259668

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
The IUPAC name of 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline (CID 142569844) is 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-n3c4ccccc4c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c43)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
The InChIKey is RFIVFAPJCSGULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-2-14-30(15-3-1)42-38-26-24-29-13-5-7-17-32(29)43(38)48-46(47-42)49-39-23-9-8-18-33(39)34-19-10-20-35(44(34)49)36-21-11-22-37-41-31-16-6-4-12-28(31)25-27-40(41)50-45(36)37/h1-27H.
What are the key properties of 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline?
2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline has a molecular weight of 637.74 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 142569844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).