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

C46H29N3 — CID 146334536

IUPAC3-(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
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4cccc5c6ccccc6n6c7ccc8ccccc8c7c7ccc3c(c54)c76)c2)cc1
InChIInChI=1S/C46H29N3/c1-3-14-31(15-4-1)47(32-16-5-2-6-17-32)33-18-11-19-34(29-33)48-40-24-12-22-37-36-21-9-10-23-39(36)49-41-27-25-30-13-7-8-20-35(30)43(41)38-26-28-42(48)45(44(37)40)46(38)49/h1-29H
InChIKeyNBZQTYPTIRBOHN-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.56
Rot. Bonds4

About 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

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 (PubChem CID 146334536) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID146334536
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name3-(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
SMILESc1ccc(N(c2ccccc2)c2cccc(-n3c4cccc5c6ccccc6n6c7ccc8ccccc8c7c7ccc3c(c54)c76)c2)cc1
InChIInChI=1S/C46H29N3/c1-3-14-31(15-4-1)47(32-16-5-2-6-17-32)33-18-11-19-34(29-33)48-40-24-12-22-37-36-21-9-10-23-39(36)49-41-27-25-30-13-7-8-20-35(30)43(41)38-26-28-42(48)45(44(37)40)46(38)49/h1-29H
InChIKeyNBZQTYPTIRBOHN-UHFFFAOYSA-N
XLogP12.56
TPSA12.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 170381394
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
1-N-[3-(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]-3-N-dibenzofuran-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171416658
N,3-diphenyl-N-[3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 139500098
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)aniline
CID 139500549
23-[3-(2-phenylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene;12-[3-(2-phenylphenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;26-[3-(2-phenylphenyl)phenyl]-14,26-diazaheptacyclo[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 163533742
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N-(3-carbazol-9-ylphenyl)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-6-amine
CID 177100472
30-[3-(2-phenylphenyl)phenyl]-1,30-diazaoctacyclo[14.12.1.115,18.02,11.03,8.012,29.017,22.023,28]triaconta-2(11),3,5,7,9,12(29),13,15,17(22),18,20,23,25,27-tetradecaene
CID 146334636
9-N,15-N-bis(4-benzo[c]carbazol-7-ylphenyl)-9-N,15-N,12-triphenyl-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 154593333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cccc(-n3c4cccc5c6ccccc6n6c7ccc8ccccc8c7c7ccc3c(c54)c76)c2)cc1.
What is the InChIKey of 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?
The InChIKey is NBZQTYPTIRBOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-14-31(15-4-1)47(32-16-5-2-6-17-32)33-18-11-19-34(29-33)48-40-24-12-22-37-36-21-9-10-23-39(36)49-41-27-25-30-13-7-8-20-35(30)43(41)38-26-28-42(48)45(44(37)40)46(38)49/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 623.76 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146334536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).