3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole

C54H32N4O — CID 155485509

IUPAC3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C54H32N4O/c1-2-14-35(15-3-1)57-46-23-11-7-17-37(46)42-30-33(26-28-48(42)57)34-27-29-49-43(31-34)38-18-8-12-24-47(38)58(49)54-55-45-22-10-6-20-40(45)53(56-54)44-32-51-52(39-19-5-4-16-36(39)44)41-21-9-13-25-50(41)59-51/h1-32H
InChIKeyIFBLTFISUPJZSI-UHFFFAOYSA-N
MW752.88 g/mol
LogP14.21
Rot. Bonds4

About 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 155485509) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID155485509
Molecular FormulaC54H32N4O
Molecular Weight752.88 g/mol
Exact Mass752.26
IUPAC Name3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C54H32N4O/c1-2-14-35(15-3-1)57-46-23-11-7-17-37(46)42-30-33(26-28-48(42)57)34-27-29-49-43(31-34)38-18-8-12-24-47(38)58(49)54-55-45-22-10-6-20-40(45)53(56-54)44-32-51-52(39-19-5-4-16-36(39)44)41-21-9-13-25-50(41)59-51/h1-32H
InChIKeyIFBLTFISUPJZSI-UHFFFAOYSA-N
XLogP14.21
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
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
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 138617947
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 155485509) is 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is IFBLTFISUPJZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-2-14-35(15-3-1)57-46-23-11-7-17-37(46)42-30-33(26-28-48(42)57)34-27-29-49-43(31-34)38-18-8-12-24-47(38)58(49)54-55-45-22-10-6-20-40(45)53(56-54)44-32-51-52(39-19-5-4-16-36(39)44)41-21-9-13-25-50(41)59-51/h1-32H.
What are the key properties of 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 752.88 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 155485509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).