12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C37H22N4 — CID 122434620

IUPAC12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ncc6c(n5)-c5cccc7cccc-6c57)n4)cc32)cc1
InChIInChI=1S/C37H22N4/c1-2-11-25(12-3-1)41-33-18-5-4-13-26(33)27-20-19-24(21-34(27)41)31-16-8-17-32(39-31)37-38-22-30-28-14-6-9-23-10-7-15-29(35(23)28)36(30)40-37/h1-22H
InChIKeyXMHFFUCFZOIERZ-UHFFFAOYSA-N
MW522.61 g/mol
LogP9.10
Rot. Bonds3

About 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 122434620) has the molecular formula C37H22N4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID122434620
Molecular FormulaC37H22N4
Molecular Weight522.61 g/mol
Exact Mass522.18
IUPAC Name12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ncc6c(n5)-c5cccc7cccc-6c57)n4)cc32)cc1
InChIInChI=1S/C37H22N4/c1-2-11-25(12-3-1)41-33-18-5-4-13-26(33)27-20-19-24(21-34(27)41)31-16-8-17-32(39-31)37-38-22-30-28-14-6-9-23-10-7-15-29(35(23)28)36(30)40-37/h1-22H
InChIKeyXMHFFUCFZOIERZ-UHFFFAOYSA-N
XLogP9.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

12-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466417
12-[9,9-dimethyl-6-(9-phenylcarbazol-2-yl)fluoren-3-yl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122434608
13-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122434747
7-[5-[4-(11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-12-yl)phenyl]-2-(9-phenylcarbazol-4-yl)phenyl]-12-[2-(9-phenylcarbazol-3-yl)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 163460513
14-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 122466557
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
2-(8-methylnaphthalen-1-yl)-9-phenylcarbazole
CID 170093624
4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325890
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260

Frequently Asked Questions

What is the IUPAC name of 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 122434620) is 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ncc6c(n5)-c5cccc7cccc-6c57)n4)cc32)cc1.
What is the InChIKey of 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is XMHFFUCFZOIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4/c1-2-11-25(12-3-1)41-33-18-5-4-13-26(33)27-20-19-24(21-34(27)41)31-16-8-17-32(39-31)37-38-22-30-28-14-6-9-23-10-7-15-29(35(23)28)36(30)40-37/h1-22H.
What are the key properties of 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 522.61 g/mol, XLogP of 9.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(9-phenylcarbazol-2-yl)-2-pyridinyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 122434620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).