10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene

C49H33N — CID 155429749

IUPAC10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESCC1(C)c2ccccc2-c2c1cc1c3c2-c2cccc4cccc(c24)-c2cccc(c23)n1-c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C49H33N/c1-49(2)40-23-9-8-19-38(40)45-41(49)29-43-48-46-37(36-20-10-15-32-16-11-22-39(44(32)36)47(45)48)21-12-24-42(46)50(43)33-27-25-31(26-28-33)35-18-7-6-17-34(35)30-13-4-3-5-14-30/h3-29H,1-2H3
InChIKeyVMYOOEAJLBFDEN-UHFFFAOYSA-N
MW635.81 g/mol
LogP13.22
Rot. Bonds3

About 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene

10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene (PubChem CID 155429749) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene.

Molecular Properties

Compound Name10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
PubChem CID155429749
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESCC1(C)c2ccccc2-c2c1cc1c3c2-c2cccc4cccc(c24)-c2cccc(c23)n1-c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C49H33N/c1-49(2)40-23-9-8-19-38(40)45-41(49)29-43-48-46-37(36-20-10-15-32-16-11-22-39(44(32)36)47(45)48)21-12-24-42(46)50(43)33-27-25-31(26-28-33)35-18-7-6-17-34(35)30-13-4-3-5-14-30/h3-29H,1-2H3
InChIKeyVMYOOEAJLBFDEN-UHFFFAOYSA-N
XLogP13.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene with MolForge

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Related Compounds

4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 139496590
23-[4-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 155429764
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
5-(4-fluoranthen-8-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118580618
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000
16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509965
23-(3,4-diphenylphenyl)-4-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 164840555
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
7,7,12-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 134235778
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene?
The IUPAC name of 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene (CID 155429749) is 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene.
What is the SMILES notation for 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene?
The canonical SMILES for 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene is CC1(C)c2ccccc2-c2c1cc1c3c2-c2cccc4cccc(c24)-c2cccc(c23)n1-c1ccc(-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene?
The InChIKey is VMYOOEAJLBFDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-49(2)40-23-9-8-19-38(40)45-41(49)29-43-48-46-37(36-20-10-15-32-16-11-22-39(44(32)36)47(45)48)21-12-24-42(46)50(43)33-27-25-31(26-28-33)35-18-7-6-17-34(35)30-13-4-3-5-14-30/h3-29H,1-2H3.
What are the key properties of 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene?
10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene has a molecular weight of 635.81 g/mol, XLogP of 13.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 155429749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).