2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione

C42H26N4O2 — CID 146639189

IUPAC2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione
SMILESO=c1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc3c(=O)n(-c4ccccc4)c4ccc(n1-c1ccccc1)n4c23
InChIInChI=1S/C42H26N4O2/c47-41-34-25-28(27-20-21-37-33(24-27)32-18-10-11-19-36(32)43(37)29-12-4-1-5-13-29)26-35-40(34)46-38(44(41)30-14-6-2-7-15-30)22-23-39(46)45(42(35)48)31-16-8-3-9-17-31/h1-26H
InChIKeyOMZKONCXFWAKJX-UHFFFAOYSA-N
MW618.70 g/mol
LogP8.75
Rot. Bonds4

About 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione

2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione (PubChem CID 146639189) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione.

Molecular Properties

Compound Name2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione
PubChem CID146639189
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione
SMILESO=c1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc3c(=O)n(-c4ccccc4)c4ccc(n1-c1ccccc1)n4c23
InChIInChI=1S/C42H26N4O2/c47-41-34-25-28(27-20-21-37-33(24-27)32-18-10-11-19-36(32)43(37)29-12-4-1-5-13-29)26-35-40(34)46-38(44(41)30-14-6-2-7-15-30)22-23-39(46)45(42(35)48)31-16-8-3-9-17-31/h1-26H
InChIKeyOMZKONCXFWAKJX-UHFFFAOYSA-N
XLogP8.75
TPSA53.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione with MolForge

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Related Compounds

10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517626
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186364
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one
CID 163734590
5,10-bis(3-carbazol-9-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154593080
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione?
The IUPAC name of 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione (CID 146639189) is 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione.
What is the SMILES notation for 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione?
The canonical SMILES for 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione is O=c1c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc3c(=O)n(-c4ccccc4)c4ccc(n1-c1ccccc1)n4c23.
What is the InChIKey of 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione?
The InChIKey is OMZKONCXFWAKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c47-41-34-25-28(27-20-21-37-33(24-27)32-18-10-11-19-36(32)43(37)29-12-4-1-5-13-29)26-35-40(34)46-38(44(41)30-14-6-2-7-15-30)22-23-39(46)45(42(35)48)31-16-8-3-9-17-31/h1-26H.
What are the key properties of 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione?
2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione has a molecular weight of 618.70 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione is sourced from PubChem (CID 146639189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).