7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole

C36H22N4 — CID 138623613

IUPAC7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7ccccc67)c5cc43)ncc2c1
InChIInChI=1S/C36H22N4/c1-3-13-25-23(10-1)12-9-19-31(25)39-32-17-7-4-14-26(32)28-20-29-27-15-5-8-18-33(27)40(35(29)21-34(28)39)36-37-22-24-11-2-6-16-30(24)38-36/h1-22H
InChIKeyQAJOCPRGAIBTCF-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.98
Rot. Bonds2

About 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole

7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole (PubChem CID 138623613) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
PubChem CID138623613
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
SMILESc1ccc2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7ccccc67)c5cc43)ncc2c1
InChIInChI=1S/C36H22N4/c1-3-13-25-23(10-1)12-9-19-31(25)39-32-17-7-4-14-26(32)28-20-29-27-15-5-8-18-33(27)40(35(29)21-34(28)39)36-37-22-24-11-2-6-16-30(24)38-36/h1-22H
InChIKeyQAJOCPRGAIBTCF-UHFFFAOYSA-N
XLogP8.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-phenyl-16-quinazolin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465151
10-phenyl-22-quinazolin-2-yl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465132
1-phenyl-9-quinazolin-2-ylpyrrolo[2,3-b]carbazole
CID 90062529
12,12-dimethyl-22-quinazolin-2-yl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122464313
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
3-phenyl-9-quinazolin-2-ylpyrrolo[3,2-b]carbazole
CID 90062396
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
CID 130258471
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
9-quinazolin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259833
24-phenyl-3-quinazolin-2-yl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122465139
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
CID 59742334

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole?
The IUPAC name of 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole (CID 138623613) is 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole?
The canonical SMILES for 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole is c1ccc2nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7ccccc67)c5cc43)ncc2c1.
What is the InChIKey of 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole?
The InChIKey is QAJOCPRGAIBTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-3-13-25-23(10-1)12-9-19-31(25)39-32-17-7-4-14-26(32)28-20-29-27-15-5-8-18-33(27)40(35(29)21-34(28)39)36-37-22-24-11-2-6-16-30(24)38-36/h1-22H.
What are the key properties of 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole?
7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole has a molecular weight of 510.60 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 138623613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).