4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C38H24BrN — CID 167225079

IUPAC4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESCC1(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n4c3c2-c2c(ccc(Br)c21)-c1ccccc1-4
InChIInChI=1S/C38H24BrN/c1-38(25-17-15-24(16-18-25)23-9-3-2-4-10-23)30-21-19-29-27-12-6-8-14-33(27)40-32-13-7-5-11-26(32)28-20-22-31(39)36(38)34(28)35(30)37(29)40/h2-22H,1H3
InChIKeyUIDGVRBBXSQFMH-UHFFFAOYSA-N
MW574.52 g/mol
LogP10.53
Rot. Bonds2

About 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 167225079) has the molecular formula C38H24BrN and a molecular weight of 574.52 g/mol. Its IUPAC name is 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID167225079
Molecular FormulaC38H24BrN
Molecular Weight574.52 g/mol
Exact Mass573.11
IUPAC Name4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
SMILESCC1(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n4c3c2-c2c(ccc(Br)c21)-c1ccccc1-4
InChIInChI=1S/C38H24BrN/c1-38(25-17-15-24(16-18-25)23-9-3-2-4-10-23)30-21-19-29-27-12-6-8-14-33(27)40-32-13-7-5-11-26(32)28-20-22-31(39)36(38)34(28)35(30)37(29)40/h2-22H,1H3
InChIKeyUIDGVRBBXSQFMH-UHFFFAOYSA-N
XLogP10.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.52
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]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

6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058230
5,26-dimethyl-5-phenyl-38-(4-phenylphenyl)-16,38-diazatridecacyclo[37.6.2.12,20.121,25.133,37.04,19.06,18.09,17.010,15.016,22.026,34.027,32.042,46]pentaconta-1(45),2(50),3,6(18),7,9(17),10,12,14,19,21,23,25(49),27,29,31,33,35,37(48),39(47),40,42(46),43-tricosaene
CID 170116416
9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169023056
N-[3-[4-[4-[4-(N-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-yl)anilino)phenyl]phenyl]phenyl]-5-phenylphenyl]-26,26-dimethyl-N-phenyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine
CID 167225012
26,26-diphenyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 169023199
N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 169023136
26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058223
6-(1-methyl-17-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-13-yl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,9'-fluorene]
CID 170117443
3,24-bis(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14-azahexacyclo[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 174027067
8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole
CID 169023385
26,26-dinaphthalen-1-yl-N-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-amine
CID 167225423
26,26-dimethyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaen-23-amine
CID 167224954

Frequently Asked Questions

What is the IUPAC name of 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 167225079) is 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is CC1(c2ccc(-c3ccccc3)cc2)c2ccc3c4ccccc4n4c3c2-c2c(ccc(Br)c21)-c1ccccc1-4.
What is the InChIKey of 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is UIDGVRBBXSQFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24BrN/c1-38(25-17-15-24(16-18-25)23-9-3-2-4-10-23)30-21-19-29-27-12-6-8-14-33(27)40-32-13-7-5-11-26(32)28-20-22-31(39)36(38)34(28)35(30)37(29)40/h2-22H,1H3.
What are the key properties of 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?
4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 574.52 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 167225079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).