5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole

C60H40N4 — CID 163882271

IUPAC5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole
SMILESC1=CC2c3cc4c(cc3N(c3nc(-c5ccc6ccccc6c5)c5ccc(-c6ccccc6)cc5n3)C2C=C1)c1ccccc1n4-c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C60H40N4/c1-3-14-39(15-4-1)42-26-28-43(29-27-42)45-20-13-21-48(35-45)63-55-24-11-9-22-49(55)52-38-58-53(37-57(52)63)50-23-10-12-25-56(50)64(58)60-61-54-36-46(40-16-5-2-6-17-40)32-33-51(54)59(62-60)47-31-30-41-18-7-8-19-44(41)34-47/h1-38,50,56H
InChIKeyPUGRHLMXYXUPLJ-UHFFFAOYSA-N
MW817.01 g/mol
LogP15.28
Rot. Bonds6

About 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole

5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole (PubChem CID 163882271) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole
PubChem CID163882271
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole
SMILESC1=CC2c3cc4c(cc3N(c3nc(-c5ccc6ccccc6c5)c5ccc(-c6ccccc6)cc5n3)C2C=C1)c1ccccc1n4-c1cccc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C60H40N4/c1-3-14-39(15-4-1)42-26-28-43(29-27-42)45-20-13-21-48(35-45)63-55-24-11-9-22-49(55)52-38-58-53(37-57(52)63)50-23-10-12-25-56(50)64(58)60-61-54-36-46(40-16-5-2-6-17-40)32-33-51(54)59(62-60)47-31-30-41-18-7-8-19-44(41)34-47/h1-38,50,56H
InChIKeyPUGRHLMXYXUPLJ-UHFFFAOYSA-N
XLogP15.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 139315614
7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenyl-4a,12b-dihydroindolo[2,3-b]carbazole
CID 156571392
9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 138743723
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
3-carbazol-9-yl-9-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)carbazole;3-carbazol-9-yl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-carbazol-9-yl-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 167583458
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole (CID 163882271) is 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole is C1=CC2c3cc4c(cc3N(c3nc(-c5ccc6ccccc6c5)c5ccc(-c6ccccc6)cc5n3)C2C=C1)c1ccccc1n4-c1cccc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole?
The InChIKey is PUGRHLMXYXUPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-3-14-39(15-4-1)42-26-28-43(29-27-42)45-20-13-21-48(35-45)63-55-24-11-9-22-49(55)52-38-58-53(37-57(52)63)50-23-10-12-25-56(50)64(58)60-61-54-36-46(40-16-5-2-6-17-40)32-33-51(54)59(62-60)47-31-30-41-18-7-8-19-44(41)34-47/h1-38,50,56H.
What are the key properties of 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole?
5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole has a molecular weight of 817.01 g/mol, XLogP of 15.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 163882271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).