4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline

C54H35N3 — CID 154692607

IUPAC4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2ccccc2)c6ccc4n5-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-5-16-36(17-6-1)37-34-46-44-25-14-13-24-43(44)45-26-15-27-47-51(45)53-48(32-33-49-54(53)52(46)50(35-37)57(49)40-22-11-4-12-23-40)56(47)42-30-28-41(29-31-42)55(38-18-7-2-8-19-38)39-20-9-3-10-21-39/h1-35H/b45-43-,46-44-
InChIKeyAHRCRZNTEOTFNN-ZRNPZBRYSA-N
MW725.90 g/mol
LogP14.76
Rot. Bonds6

About 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline

4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline (PubChem CID 154692607) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline
PubChem CID154692607
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline
SMILESc1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2ccccc2)c6ccc4n5-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-5-16-36(17-6-1)37-34-46-44-25-14-13-24-43(44)45-26-15-27-47-51(45)53-48(32-33-49-54(53)52(46)50(35-37)57(49)40-22-11-4-12-23-40)56(47)42-30-28-41(29-31-42)55(38-18-7-2-8-19-38)39-20-9-3-10-21-39/h1-35H/b45-43-,46-44-
InChIKeyAHRCRZNTEOTFNN-ZRNPZBRYSA-N
XLogP14.76
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline with MolForge

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Related Compounds

9,14-bis(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazahexacyclo[11.7.0.02,10.03,8.04,19.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157082810
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487397
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059

Frequently Asked Questions

What is the IUPAC name of 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline (CID 154692607) is 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline is c1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2ccccc2)c6ccc4n5-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline?
The InChIKey is AHRCRZNTEOTFNN-ZRNPZBRYSA-N. The full InChI is InChI=1S/C54H35N3/c1-5-16-36(17-6-1)37-34-46-44-25-14-13-24-43(44)45-26-15-27-47-51(45)53-48(32-33-49-54(53)52(46)50(35-37)57(49)40-22-11-4-12-23-40)56(47)42-30-28-41(29-31-42)55(38-18-7-2-8-19-38)39-20-9-3-10-21-39/h1-35H/b45-43-,46-44-.
What are the key properties of 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline?
4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline has a molecular weight of 725.90 g/mol, XLogP of 14.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-25-yl)-N,N-diphenylaniline is sourced from PubChem (CID 154692607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).