26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C48H29N3 — CID 167209952

IUPAC26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)ccc43)c2)cc1
InChIInChI=1S/C48H29N3/c1-2-12-30(13-3-1)31-14-8-15-32(28-31)49-40-21-6-5-17-35(40)39-29-33(26-27-42(39)49)50-43-23-10-18-36-38-20-9-19-37-34-16-4-7-22-41(34)51(48(37)38)45-25-11-24-44(50)47(45)46(36)43/h1-29H
InChIKeyXEDVHVYCLIGUFT-UHFFFAOYSA-N
MW647.78 g/mol
LogP12.70
Rot. Bonds3

About 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 167209952) has the molecular formula C48H29N3 and a molecular weight of 647.78 g/mol. Its IUPAC name is 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID167209952
Molecular FormulaC48H29N3
Molecular Weight647.78 g/mol
Exact Mass647.24
IUPAC Name26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)ccc43)c2)cc1
InChIInChI=1S/C48H29N3/c1-2-12-30(13-3-1)31-14-8-15-32(28-31)49-40-21-6-5-17-35(40)39-29-33(26-27-42(39)49)50-43-23-10-18-36-38-20-9-19-37-34-16-4-7-22-41(34)51(48(37)38)45-25-11-24-44(50)47(45)46(36)43/h1-29H
InChIKeyXEDVHVYCLIGUFT-UHFFFAOYSA-N
XLogP12.70
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.78
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

26-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene;26-phenyl-18-(26-phenyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaen-18-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaene;26-(4-phenylphenyl)-18-[26-(4-phenylphenyl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaen-18-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaene
CID 167685446
26-phenyl-18-(26-phenyl-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaen-18-yl)-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15(20),16,18,21,23-dodecaene
CID 167209820
9-(4-phenylphenyl)-14-[3-[4-[3-[4-[3-[14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139480563
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(3-carbazol-9-ylphenyl)phenyl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158065664
4-[3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179746
4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179732
4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422800
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
9-(3-carbazol-9-ylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598820
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747357
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134168669

Frequently Asked Questions

What is the IUPAC name of 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 167209952) is 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6cccc7c8cccc9c%10ccccc%10n(c%10cccc5c%10c76)c89)ccc43)c2)cc1.
What is the InChIKey of 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is XEDVHVYCLIGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3/c1-2-12-30(13-3-1)31-14-8-15-32(28-31)49-40-21-6-5-17-35(40)39-29-33(26-27-42(39)49)50-43-23-10-18-36-38-20-9-19-37-34-16-4-7-22-41(34)51(48(37)38)45-25-11-24-44(50)47(45)46(36)43/h1-29H.
What are the key properties of 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 647.78 g/mol, XLogP of 12.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-[9-(3-phenylphenyl)carbazol-3-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 167209952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).