10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole

C46H29N3O — CID 154968803

IUPAC10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole
SMILESC1=Cc2nc(-n3c4ccc(-c5cc6oc7ccccc7c6c6ccccc56)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c2CC1
InChIInChI=1S/C46H29N3O/c1-2-13-29(14-3-1)45-34-18-8-10-20-38(34)47-46(48-45)49-39-24-23-30(26-37(39)43-31-15-5-4-12-28(31)22-25-40(43)49)36-27-42-44(33-17-7-6-16-32(33)36)35-19-9-11-21-41(35)50-42/h1-7,9-17,19-27H,8,18H2
InChIKeyJFXDGVOHPKLGGG-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.07
Rot. Bonds3

About 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole

10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole (PubChem CID 154968803) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole
PubChem CID154968803
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole
SMILESC1=Cc2nc(-n3c4ccc(-c5cc6oc7ccccc7c6c6ccccc56)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c2CC1
InChIInChI=1S/C46H29N3O/c1-2-13-29(14-3-1)45-34-18-8-10-20-38(34)47-46(48-45)49-39-24-23-30(26-37(39)43-31-15-5-4-12-28(31)22-25-40(43)49)36-27-42-44(33-17-7-6-16-32(33)36)35-19-9-11-21-41(35)50-42/h1-7,9-17,19-27H,8,18H2
InChIKeyJFXDGVOHPKLGGG-UHFFFAOYSA-N
XLogP12.07
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 155485454
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158683251
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233
7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-15-yl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 154595778
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
2-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433908
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
15-phenyl-13-(10-phenylbenzo[c]carbazol-7-yl)-17-oxa-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 170371134

Frequently Asked Questions

What is the IUPAC name of 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole (CID 154968803) is 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole is C1=Cc2nc(-n3c4ccc(-c5cc6oc7ccccc7c6c6ccccc56)cc4c4c5ccccc5ccc43)nc(-c3ccccc3)c2CC1.
What is the InChIKey of 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole?
The InChIKey is JFXDGVOHPKLGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-2-13-29(14-3-1)45-34-18-8-10-20-38(34)47-46(48-45)49-39-24-23-30(26-37(39)43-31-15-5-4-12-28(31)22-25-40(43)49)36-27-42-44(33-17-7-6-16-32(33)36)35-19-9-11-21-41(35)50-42/h1-7,9-17,19-27H,8,18H2.
What are the key properties of 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole?
10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole has a molecular weight of 639.76 g/mol, XLogP of 12.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphtho[2,1-b][1]benzofuran-5-yl-7-(4-phenyl-5,6-dihydroquinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 154968803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).