29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene

C52H38 — CID 123910999

IUPAC29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
SMILESC1=CC2C3=C(C=C4c5c(c(-c6ccccc6)c6cc7c8c(cccc8c6c5-c5ccccc5)C5=C7CCC=C5)C(=C1)C42)CC(C1=CCCC=C1)C=C3
InChIInChI=1S/C52H38/c1-4-14-31(15-5-1)34-26-27-36-35(28-34)29-44-49-39(36)22-12-25-42(49)51-46(32-16-6-2-7-17-32)45-30-43-38-21-11-10-20-37(38)40-23-13-24-41(48(40)43)50(45)47(52(44)51)33-18-8-3-9-19-33/h2-4,6-10,12-20,22-27,29-30,34,39,49H,1,5,11,21,28H2
InChIKeyPLTHPYWNVFYMDM-UHFFFAOYSA-N
MW662.88 g/mol
LogP13.65
Rot. Bonds3

About 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene

29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene (PubChem CID 123910999) has the molecular formula C52H38 and a molecular weight of 662.88 g/mol. Its IUPAC name is 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene.

Molecular Properties

Compound Name29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
PubChem CID123910999
Molecular FormulaC52H38
Molecular Weight662.88 g/mol
Exact Mass662.30
IUPAC Name29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
SMILESC1=CC2C3=C(C=C4c5c(c(-c6ccccc6)c6cc7c8c(cccc8c6c5-c5ccccc5)C5=C7CCC=C5)C(=C1)C42)CC(C1=CCCC=C1)C=C3
InChIInChI=1S/C52H38/c1-4-14-31(15-5-1)34-26-27-36-35(28-34)29-44-49-39(36)22-12-25-42(49)51-46(32-16-6-2-7-17-32)45-30-43-38-21-11-10-20-37(38)40-23-13-24-41(48(40)43)50(45)47(52(44)51)33-18-8-3-9-19-33/h2-4,6-10,12-20,22-27,29-30,34,39,49H,1,5,11,21,28H2
InChIKeyPLTHPYWNVFYMDM-UHFFFAOYSA-N
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene 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

29-methyl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
CID 123988637
13-(7,8-dihydronaphthalen-1-yl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene
CID 123750706
8-(3,6-ditert-butyl-4a,8a-dihydronaphthalen-1-yl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1,3,5,7,10,12,14,16,18(29),19(24),22,25,27-tridecaene
CID 123498238
3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),6,8,10,12,15,17,19,21-undecaene-8-thiol
CID 142054041
3-(3-bromophenyl)-7,8-dihydrofluoranthene
CID 144508418
23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2(26),3,5,7(40),8(21),9(18),11,13,16,22,24,27(39),32,34,36-hexadecaene
CID 123308416
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-phenylanthracene
CID 123534233
9-[12-(2,3-dihydronaphthalen-1-yl)-4a,12a-dihydrobenzo[10]annulen-5-yl]-1,2,4b,8a-tetrahydrophenanthrene
CID 123796505
butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole
CID 142293100
2-(2-phenylcyclohexa-1,5-dien-1-yl)benzenethiol
CID 170288323
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)carbazole;prop-1-ene
CID 142292975
7-(4,4a-dihydrodibenzothiophen-4-yl)-9-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-phenylcyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 163648304

Frequently Asked Questions

What is the IUPAC name of 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
The IUPAC name of 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene (CID 123910999) is 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene.
What is the SMILES notation for 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
The canonical SMILES for 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene is C1=CC2C3=C(C=C4c5c(c(-c6ccccc6)c6cc7c8c(cccc8c6c5-c5ccccc5)C5=C7CCC=C5)C(=C1)C42)CC(C1=CCCC=C1)C=C3.
What is the InChIKey of 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
The InChIKey is PLTHPYWNVFYMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38/c1-4-14-31(15-5-1)34-26-27-36-35(28-34)29-44-49-39(36)22-12-25-42(49)51-46(32-16-6-2-7-17-32)45-30-43-38-21-11-10-20-37(38)40-23-13-24-41(48(40)43)50(45)47(52(44)51)33-18-8-3-9-19-33/h2-4,6-10,12-20,22-27,29-30,34,39,49H,1,5,11,21,28H2.
What are the key properties of 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene?
29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene has a molecular weight of 662.88 g/mol, XLogP of 13.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 29-cyclohexa-1,5-dien-1-yl-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4,6,8,10(15),11,16(34),17,19,21,23,26(31),27-tetradecaene is sourced from PubChem (CID 123910999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).