2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline

C63H45N — CID 144833355

IUPAC2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESCc1ccccc1-c1ccc(-c2ccc3c(c2)-c2cccc4c2C3(c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2ccccc2-4)cc1C
InChIInChI=1S/C63H45N/c1-42-16-9-10-21-52(42)53-38-32-48(40-43(53)2)49-33-39-59-57(41-49)56-24-15-23-55-54-22-11-12-25-58(54)63(59,62(55)56)60-26-13-14-27-61(60)64(50-34-28-46(29-35-50)44-17-5-3-6-18-44)51-36-30-47(31-37-51)45-19-7-4-8-20-45/h3-41H,1-2H3
InChIKeyTXQLLEFCEAQJSQ-UHFFFAOYSA-N
MW816.06 g/mol
LogP16.78
Rot. Bonds8

About 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline

2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 144833355) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID144833355
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC Name2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESCc1ccccc1-c1ccc(-c2ccc3c(c2)-c2cccc4c2C3(c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2ccccc2-4)cc1C
InChIInChI=1S/C63H45N/c1-42-16-9-10-21-52(42)53-38-32-48(40-43(53)2)49-33-39-59-57(41-49)56-24-15-23-55-54-22-11-12-25-58(54)63(59,62(55)56)60-26-13-14-27-61(60)64(50-34-28-46(29-35-50)44-17-5-3-6-18-44)51-36-30-47(31-37-51)45-19-7-4-8-20-45/h3-41H,1-2H3
InChIKeyTXQLLEFCEAQJSQ-UHFFFAOYSA-N
XLogP16.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline with MolForge

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Related Compounds

2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 122537211
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124
N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 130379438
ethane;3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025123
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 167176838
1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]
CID 161480521
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 135271121
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline (CID 144833355) is 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline is Cc1ccccc1-c1ccc(-c2ccc3c(c2)-c2cccc4c2C3(c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2ccccc2-4)cc1C.
What is the InChIKey of 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is TXQLLEFCEAQJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-42-16-9-10-21-52(42)53-38-32-48(40-43(53)2)49-33-39-59-57(41-49)56-24-15-23-55-54-22-11-12-25-58(54)63(59,62(55)56)60-26-13-14-27-61(60)64(50-34-28-46(29-35-50)44-17-5-3-6-18-44)51-36-30-47(31-37-51)45-19-7-4-8-20-45/h3-41H,1-2H3.
What are the key properties of 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline?
2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 816.06 g/mol, XLogP of 16.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-methyl-4-(2-methylphenyl)phenyl]-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 144833355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).