5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene

C40H25N — CID 155771619

IUPAC5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3cccc4cccc(c34)-c3ccccc3-5)cc2)cc1
InChIInChI=1S/C40H25N/c1-2-10-26(11-3-1)27-20-22-29(23-21-27)41-38-19-7-6-16-32(38)37-24-35-31-15-5-4-14-30(31)33-17-8-12-28-13-9-18-34(40(28)33)36(35)25-39(37)41/h1-25H
InChIKeyQSDJCYQOOPUXRA-UHFFFAOYSA-N
MW519.65 g/mol
LogP10.92
Rot. Bonds2

About 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene

5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene (PubChem CID 155771619) has the molecular formula C40H25N and a molecular weight of 519.65 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene.

Molecular Properties

Compound Name5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
PubChem CID155771619
Molecular FormulaC40H25N
Molecular Weight519.65 g/mol
Exact Mass519.20
IUPAC Name5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3cccc4cccc(c34)-c3ccccc3-5)cc2)cc1
InChIInChI=1S/C40H25N/c1-2-10-26(11-3-1)27-20-22-29(23-21-27)41-38-19-7-6-16-32(38)37-24-35-31-15-5-4-14-30(31)33-17-8-12-28-13-9-18-34(40(28)33)36(35)25-39(37)41/h1-25H
InChIKeyQSDJCYQOOPUXRA-UHFFFAOYSA-N
XLogP10.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene with MolForge

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Related Compounds

N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544
11-(4-fluoranthen-3-ylphenyl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580860
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine
CID 155771642
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
CID 138568989
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118580618
9-(4-fluoranthen-8-ylphenyl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 118580856
9-[4-(4-phenylquinazolin-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene;11-[4-(4-phenylquinazolin-2-yl)phenyl]-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 159806119
4-[9-(4-phenylphenyl)carbazol-3-yl]-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118565132
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene?
The IUPAC name of 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene (CID 155771619) is 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene.
What is the SMILES notation for 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene?
The canonical SMILES for 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)-c3cccc4cccc(c34)-c3ccccc3-5)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene?
The InChIKey is QSDJCYQOOPUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N/c1-2-10-26(11-3-1)27-20-22-29(23-21-27)41-38-19-7-6-16-32(38)37-24-35-31-15-5-4-14-30(31)33-17-8-12-28-13-9-18-34(40(28)33)36(35)25-39(37)41/h1-25H.
What are the key properties of 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene?
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene has a molecular weight of 519.65 g/mol, XLogP of 10.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 155771619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).