11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

C42H29N3 — CID 142397269

IUPAC11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
SMILESC1=Cc2c(c3ccc(N4c5ccccc5-c5cc6ccccc6cc5-n5c4cc4ccccc45)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C42H29N3/c1-2-15-31(16-3-1)43-38-20-10-7-17-33(38)35-23-22-32(27-41(35)43)44-39-21-11-8-18-34(39)36-24-28-12-4-5-13-29(28)25-40(36)45-37-19-9-6-14-30(37)26-42(44)45/h1-6,8-16,18-27H,7,17H2
InChIKeySIBBMGRPFIINFH-UHFFFAOYSA-N
MW575.72 g/mol
LogP11.14
Rot. Bonds2

About 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (PubChem CID 142397269) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.

Molecular Properties

Compound Name11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
PubChem CID142397269
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
SMILESC1=Cc2c(c3ccc(N4c5ccccc5-c5cc6ccccc6cc5-n5c4cc4ccccc45)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C42H29N3/c1-2-15-31(16-3-1)43-38-20-10-7-17-33(38)35-23-22-32(27-41(35)43)44-39-21-11-8-18-34(39)36-24-28-12-4-5-13-29(28)25-40(36)45-37-19-9-6-14-30(37)26-42(44)45/h1-6,8-16,18-27H,7,17H2
InChIKeySIBBMGRPFIINFH-UHFFFAOYSA-N
XLogP11.14
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene with MolForge

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Related Compounds

11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
CID 146390270
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397357
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 157134468
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
CID 118587825

Frequently Asked Questions

What is the IUPAC name of 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
The IUPAC name of 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (CID 142397269) is 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.
What is the SMILES notation for 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
The canonical SMILES for 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is C1=Cc2c(c3ccc(N4c5ccccc5-c5cc6ccccc6cc5-n5c4cc4ccccc45)cc3n2-c2ccccc2)CC1.
What is the InChIKey of 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
The InChIKey is SIBBMGRPFIINFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-2-15-31(16-3-1)43-38-20-10-7-17-33(38)35-23-22-32(27-41(35)43)44-39-21-11-8-18-34(39)36-24-28-12-4-5-13-29(28)25-40(36)45-37-19-9-6-14-30(37)26-42(44)45/h1-6,8-16,18-27H,7,17H2.
What are the key properties of 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?
11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene has a molecular weight of 575.72 g/mol, XLogP of 11.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is sourced from PubChem (CID 142397269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).