N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine

C48H31N3 — CID 169023297

IUPACN,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)c3cccc5c3c3c(ccc6c7ccccc7n4c63)n5-c3ccccc3)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)33-16-12-21-36(30-33)49(34-17-6-2-7-18-34)37-26-28-43-41(31-37)39-23-13-25-44-46(39)47-45(50(44)35-19-8-3-9-20-35)29-27-40-38-22-10-11-24-42(38)51(43)48(40)47/h1-31H
InChIKeyNXXCTSUPYQGMQP-UHFFFAOYSA-N
MW649.80 g/mol
LogP13.07
Rot. Bonds5

About N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine

N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine (PubChem CID 169023297) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine.

Molecular Properties

Compound NameN,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine
PubChem CID169023297
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC NameN,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)c3cccc5c3c3c(ccc6c7ccccc7n4c63)n5-c3ccccc3)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-14-32(15-5-1)33-16-12-21-36(30-33)49(34-17-6-2-7-18-34)37-26-28-43-41(31-37)39-23-13-25-44-46(39)47-45(50(44)35-19-8-3-9-20-35)29-27-40-38-22-10-11-24-42(38)51(43)48(40)47/h1-31H
InChIKeyNXXCTSUPYQGMQP-UHFFFAOYSA-N
XLogP13.07
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine with MolForge

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Related Compounds

N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118963227
N-phenyl-3-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 142474038
3-phenyl-N-[4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 145273285
N-[4-(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-dodecaen-26-yl)phenyl]-N,4-diphenylaniline
CID 171416695
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-(16,30-diazaoctacyclo[14.12.1.12,27.05,29.06,15.07,12.017,22.023,28]triaconta-1,3,5(29),6(15),7,9,11,13,17,19,21,23(28),24,26-tetradecaen-30-yl)-N,N-diphenylaniline
CID 146334536
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963

Frequently Asked Questions

What is the IUPAC name of N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine?
The IUPAC name of N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine (CID 169023297) is N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine.
What is the SMILES notation for N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine?
The canonical SMILES for N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)c3cccc5c3c3c(ccc6c7ccccc7n4c63)n5-c3ccccc3)c2)cc1.
What is the InChIKey of N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine?
The InChIKey is NXXCTSUPYQGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-14-32(15-5-1)33-16-12-21-36(30-33)49(34-17-6-2-7-18-34)37-26-28-43-41(31-37)39-23-13-25-44-46(39)47-45(50(44)35-19-8-3-9-20-35)29-27-40-38-22-10-11-24-42(38)51(43)48(40)47/h1-31H.
What are the key properties of N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine?
N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine has a molecular weight of 649.80 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,26-diphenyl-N-(3-phenylphenyl)-14,26-diazaheptacyclo[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-10-amine is sourced from PubChem (CID 169023297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).