4-(4-phenylphenyl)-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

C34H21N — CID 118564873

IUPAC4-(4-phenylphenyl)-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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3cccc4cccc-5c34)cc2)cc1
InChIInChI=1S/C34H21N/c1-2-8-22(9-3-1)23-16-18-25(19-17-23)35-31-15-5-4-12-26(31)29-21-20-28-27-13-6-10-24-11-7-14-30(32(24)27)33(28)34(29)35/h1-21H
InChIKeyUZNZNYBOVXLQBH-UHFFFAOYSA-N
MW443.55 g/mol
LogP9.25
Rot. Bonds2

About 4-(4-phenylphenyl)-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

4-(4-phenylphenyl)-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 (PubChem CID 118564873) has the molecular formula C34H21N and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-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.

Molecular Properties

Compound Name4-(4-phenylphenyl)-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
PubChem CID118564873
Molecular FormulaC34H21N
Molecular Weight443.55 g/mol
Exact Mass443.17
IUPAC Name4-(4-phenylphenyl)-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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3cccc4cccc-5c34)cc2)cc1
InChIInChI=1S/C34H21N/c1-2-8-22(9-3-1)23-16-18-25(19-17-23)35-31-15-5-4-12-26(31)29-21-20-28-27-13-6-10-24-11-7-14-30(32(24)27)33(28)34(29)35/h1-21H
InChIKeyUZNZNYBOVXLQBH-UHFFFAOYSA-N
XLogP9.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(4-phenylphenyl)-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 with MolForge

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Related Compounds

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
9-(4-phenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 129208210
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
11-(4-fluoranthen-8-ylphenyl)-8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 130304540
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-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;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-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;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 157348539
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
11-[4-(3-fluoranthen-8-ylphenyl)phenyl]-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole
CID 130304278
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
9-[9-[3-(4-fluoranthen-8-ylphenyl)phenyl]carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 130304292
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-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?
The IUPAC name of 4-(4-phenylphenyl)-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 118564873) is 4-(4-phenylphenyl)-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.
What is the SMILES notation for 4-(4-phenylphenyl)-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?
The canonical SMILES for 4-(4-phenylphenyl)-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 is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3cccc4cccc-5c34)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-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?
The InChIKey is UZNZNYBOVXLQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N/c1-2-8-22(9-3-1)23-16-18-25(19-17-23)35-31-15-5-4-12-26(31)29-21-20-28-27-13-6-10-24-11-7-14-30(32(24)27)33(28)34(29)35/h1-21H.
What are the key properties of 4-(4-phenylphenyl)-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?
4-(4-phenylphenyl)-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 has a molecular weight of 443.55 g/mol, XLogP of 9.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-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 is sourced from PubChem (CID 118564873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).