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

C47H34 — CID 123988637

IUPAC29-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
SMILESCC1C=CC2=C(C=C3c4c(c(-c5ccccc5)c5cc6c7c(cccc7c5c4-c4ccccc4)C4=C6CCC=C4)C4=CC=CC2C43)C1
InChIInChI=1S/C47H34/c1-27-22-23-31-30(24-27)25-39-44-34(31)18-10-21-37(44)46-41(28-12-4-2-5-13-28)40-26-38-33-17-9-8-16-32(33)35-19-11-20-36(43(35)38)45(40)42(47(39)46)29-14-6-3-7-15-29/h2-8,10-16,18-23,25-27,34,44H,9,17,24H2,1H3
InChIKeyMDWONUSJRKYYNP-UHFFFAOYSA-N
MW598.79 g/mol
LogP12.39
Rot. Bonds2

About 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

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 (PubChem CID 123988637) has the molecular formula C47H34 and a molecular weight of 598.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name29-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
PubChem CID123988637
Molecular FormulaC47H34
Molecular Weight598.79 g/mol
Exact Mass598.27
IUPAC Name29-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
SMILESCC1C=CC2=C(C=C3c4c(c(-c5ccccc5)c5cc6c7c(cccc7c5c4-c4ccccc4)C4=C6CCC=C4)C4=CC=CC2C43)C1
InChIInChI=1S/C47H34/c1-27-22-23-31-30(24-27)25-39-44-34(31)18-10-21-37(44)46-41(28-12-4-2-5-13-28)40-26-38-33-17-9-8-16-32(33)35-19-11-20-36(43(35)38)45(40)42(47(39)46)29-14-6-3-7-15-29/h2-8,10-16,18-23,25-27,34,44H,9,17,24H2,1H3
InChIKeyMDWONUSJRKYYNP-UHFFFAOYSA-N
XLogP12.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-(3-bromophenyl)-7,8-dihydrofluoranthene
CID 144508418
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
5,17-bis(9,9-dimethylfluoren-2-yl)nonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2(20),3,5,7,9,12,14,16,18,21(33),22,26,28,30-pentadecaene
CID 91120642
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
2,3-bis(ethenyl)-1-(4-phenylphenyl)-5-(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)indole;buta-1,3-diene;(Z)-but-2-ene;ethane
CID 142292984
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
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
2-(2-phenylcyclohexa-1,5-dien-1-yl)benzenethiol
CID 170288323
9-[12-(2,3-dihydronaphthalen-1-yl)-4a,12a-dihydrobenzo[10]annulen-5-yl]-1,2,4b,8a-tetrahydrophenanthrene
CID 123796505

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=CC2=C(C=C3c4c(c(-c5ccccc5)c5cc6c7c(cccc7c5c4-c4ccccc4)C4=C6CCC=C4)C4=CC=CC2C43)C1.
What is the InChIKey of 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?
The InChIKey is MDWONUSJRKYYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34/c1-27-22-23-31-30(24-27)25-39-44-34(31)18-10-21-37(44)46-41(28-12-4-2-5-13-28)40-26-38-33-17-9-8-16-32(33)35-19-11-20-36(43(35)38)45(40)42(47(39)46)29-14-6-3-7-15-29/h2-8,10-16,18-23,25-27,34,44H,9,17,24H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 598.79 g/mol, XLogP of 12.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123988637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).