11-phenyl-12,14-diazahexacyclo[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

C29H18N2 — CID 121385933

IUPAC11-phenyl-12,14-diazahexacyclo[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(-c2ccc3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1
InChIInChI=1S/C29H18N2/c1-2-9-19(10-3-1)26-18-17-25-21-12-5-4-11-20(21)23-14-8-15-24-22-13-6-7-16-27(22)31(28(23)24)29(25)30-26/h1-18H
InChIKeySWBSCKSGWBEBEP-UHFFFAOYSA-N
MW394.48 g/mol
LogP7.49
Rot. Bonds1

About 11-phenyl-12,14-diazahexacyclo[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

11-phenyl-12,14-diazahexacyclo[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 121385933) has the molecular formula C29H18N2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 11-phenyl-12,14-diazahexacyclo[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 Name11-phenyl-12,14-diazahexacyclo[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 CID121385933
Molecular FormulaC29H18N2
Molecular Weight394.48 g/mol
Exact Mass394.15
IUPAC Name11-phenyl-12,14-diazahexacyclo[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(-c2ccc3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1
InChIInChI=1S/C29H18N2/c1-2-9-19(10-3-1)26-18-17-25-21-12-5-4-11-20(21)23-14-8-15-24-22-13-6-7-16-27(22)31(28(23)24)29(25)30-26/h1-18H
InChIKeySWBSCKSGWBEBEP-UHFFFAOYSA-N
XLogP7.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-phenyl-12,14-diazahexacyclo[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

9,11-diphenyl-10,12,14-triazahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 155371729
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
CID 178064886
12-(3-phenylisoquinolin-1-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 170268448
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386013
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-1-yl]-1,3,4-oxadiazole
CID 122593708
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 169037362
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
4-phenyl-1,4-diazaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21,23,25(32),26,28,30-pentadecaene
CID 126699842
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12,14-diazahexacyclo[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 11-phenyl-12,14-diazahexacyclo[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 121385933) is 11-phenyl-12,14-diazahexacyclo[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 11-phenyl-12,14-diazahexacyclo[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 11-phenyl-12,14-diazahexacyclo[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(-c2ccc3c(n2)-n2c4ccccc4c4cccc(c42)-c2ccccc2-3)cc1.
What is the InChIKey of 11-phenyl-12,14-diazahexacyclo[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 SWBSCKSGWBEBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2/c1-2-9-19(10-3-1)26-18-17-25-21-12-5-4-11-20(21)23-14-8-15-24-22-13-6-7-16-27(22)31(28(23)24)29(25)30-26/h1-18H.
What are the key properties of 11-phenyl-12,14-diazahexacyclo[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?
11-phenyl-12,14-diazahexacyclo[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 394.48 g/mol, XLogP of 7.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12,14-diazahexacyclo[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 121385933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).