17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C52H32N4 — CID 121385989

IUPAC17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c4cccc5c4n(c3n2)-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccccc2-5)cc1
InChIInChI=1S/C52H32N4/c1-4-15-33(16-5-1)49-48-42-25-14-24-41-38-21-10-11-22-39(38)43-31-35(28-30-47(43)56(50(41)42)52(48)54-51(53-49)34-17-6-2-7-18-34)36-27-29-46-44(32-36)40-23-12-13-26-45(40)55(46)37-19-8-3-9-20-37/h1-32H
InChIKeySPGCIQAWESGQKV-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.32
Rot. Bonds4

About 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 121385989) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
PubChem CID121385989
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c4cccc5c4n(c3n2)-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccccc2-5)cc1
InChIInChI=1S/C52H32N4/c1-4-15-33(16-5-1)49-48-42-25-14-24-41-38-21-10-11-22-39(38)43-31-35(28-30-47(43)56(50(41)42)52(48)54-51(53-49)34-17-6-2-7-18-34)36-27-29-46-44(32-36)40-23-12-13-26-45(40)55(46)37-19-8-3-9-20-37/h1-32H
InChIKeySPGCIQAWESGQKV-UHFFFAOYSA-N
XLogP13.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
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9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
CID 138599572
2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
CID 158253323
11-phenyl-8-(2,4,9-triphenylpyrimido[4,5-b]indol-6-yl)benzo[a]carbazole;7-phenyl-10-(2,4,9-triphenylpyrimido[4,5-b]indol-6-yl)benzo[c]carbazole;2,4,9-triphenyl-6-(9-phenylcarbazol-4-yl)pyrimido[4,5-b]indole
CID 158505849
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12,14-bis[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466364
2-(3-carbazol-9-ylphenyl)-9-phenyl-4-(9-phenylcarbazol-3-yl)pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 159842963
3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434535
3-[9-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 155120354
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081

Frequently Asked Questions

What is the IUPAC name of 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The IUPAC name of 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 121385989) is 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc(-c2nc(-c3ccccc3)c3c4cccc5c4n(c3n2)-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccccc2-5)cc1.
What is the InChIKey of 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The InChIKey is SPGCIQAWESGQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-4-15-33(16-5-1)49-48-42-25-14-24-41-38-21-10-11-22-39(38)43-31-35(28-30-47(43)56(50(41)42)52(48)54-51(53-49)34-17-6-2-7-18-34)36-27-29-46-44(32-36)40-23-12-13-26-45(40)55(46)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 712.86 g/mol, XLogP of 13.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17,19-diphenyl-10-(9-phenylcarbazol-3-yl)-14,16,18-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 121385989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).