3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole

C58H40N4 — CID 118637647

IUPAC3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESC1=CC2C=C(c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)C=CC2C=C1/C=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C58H40N4/c1-4-16-40(17-5-1)56-50-24-10-13-25-52(50)59-58(60-56)62-54-27-15-12-23-48(54)51-38-45(33-35-55(51)62)44-32-31-42-36-39(28-30-43(42)37-44)29-34-49-47-22-11-14-26-53(47)61(46-20-8-3-9-21-46)57(49)41-18-6-2-7-19-41/h1-38,42-43H/b34-29+
InChIKeyVGASWELURIGJMV-RIHQVDFKSA-N
MW792.99 g/mol
LogP14.40
Rot. Bonds7

About 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole

3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 118637647) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID118637647
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESC1=CC2C=C(c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)C=CC2C=C1/C=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C58H40N4/c1-4-16-40(17-5-1)56-50-24-10-13-25-52(50)59-58(60-56)62-54-27-15-12-23-48(54)51-38-45(33-35-55(51)62)44-32-31-42-36-39(28-30-43(42)37-44)29-34-49-47-22-11-14-26-53(47)61(46-20-8-3-9-21-46)57(49)41-18-6-2-7-19-41/h1-38,42-43H/b34-29+
InChIKeyVGASWELURIGJMV-RIHQVDFKSA-N
XLogP14.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
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-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
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
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
[9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-3-yl]boronic acid
CID 145381468
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
12-[4-(9-phenylcarbazol-3-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 71109102
2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole
CID 90129224
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole (CID 118637647) is 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole is C1=CC2C=C(c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)C=CC2C=C1/C=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is VGASWELURIGJMV-RIHQVDFKSA-N. The full InChI is InChI=1S/C58H40N4/c1-4-16-40(17-5-1)56-50-24-10-13-25-52(50)59-58(60-56)62-54-27-15-12-23-48(54)51-38-45(33-35-55(51)62)44-32-31-42-36-39(28-30-43(42)37-44)29-34-49-47-22-11-14-26-53(47)61(46-20-8-3-9-21-46)57(49)41-18-6-2-7-19-41/h1-38,42-43H/b34-29+.
What are the key properties of 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole?
3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 792.99 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(E)-2-(1,2-diphenylindol-3-yl)ethenyl]-4a,8a-dihydronaphthalen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 118637647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).