4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C54H34N4 — CID 118034704

IUPAC4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc7n6)c5c4)cccc32)cc1
InChIInChI=1S/C54H34N4/c1-2-16-39(17-3-1)57-49-26-11-8-21-46(49)52-42(23-13-27-50(52)57)38-32-33-44-43-19-7-10-25-48(43)58(51(44)34-38)54-55-47-24-9-6-20-45(47)53(56-54)37-30-28-36(29-31-37)41-22-12-15-35-14-4-5-18-40(35)41/h1-34H
InChIKeyDDMMYFWNXCFFPO-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole

4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 118034704) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID118034704
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc7n6)c5c4)cccc32)cc1
InChIInChI=1S/C54H34N4/c1-2-16-39(17-3-1)57-49-26-11-8-21-46(49)52-42(23-13-27-50(52)57)38-32-33-44-43-19-7-10-25-48(43)58(51(44)34-38)54-55-47-24-9-6-20-45(47)53(56-54)37-30-28-36(29-31-37)41-22-12-15-35-14-4-5-18-40(35)41/h1-34H
InChIKeyDDMMYFWNXCFFPO-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
CID 129221822
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-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
CID 129149729
15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770146
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
2-phenyl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;9-(4-phenylquinazolin-2-yl)-3-triphenylen-2-ylcarbazole;9-phenyl-4-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]carbazole
CID 158204619
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
9-(9-naphthalen-2-ylcarbazol-4-yl)-11-(4-naphthalen-2-ylquinazolin-2-yl)benzo[a]carbazole
CID 155114360
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-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
CID 131999015
9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole
CID 118317505

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 118034704) is 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c6ccccc6n(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)c7ccccc7n6)c5c4)cccc32)cc1.
What is the InChIKey of 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is DDMMYFWNXCFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-2-16-39(17-3-1)57-49-26-11-8-21-46(49)52-42(23-13-27-50(52)57)38-32-33-44-43-19-7-10-25-48(43)58(51(44)34-38)54-55-47-24-9-6-20-45(47)53(56-54)37-30-28-36(29-31-37)41-22-12-15-35-14-4-5-18-40(35)41/h1-34H.
What are the key properties of 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118034704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).