4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline

C72H51N7 — CID 122230126

IUPAC4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline
SMILESCc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(C)cc6)c6cccnc6-c6ncccc65)cc4)c4ccc(C5(c6ccc(C)cc6)c6cccnc6-c6ncccc65)cc4)cc3)c3cccnc3-c3ncccc32)cc1
InChIInChI=1S/C72H51N7/c1-46-16-22-49(23-17-46)70(58-10-4-40-73-64(58)65-59(70)11-5-41-74-65)52-28-34-55(35-29-52)79(56-36-30-53(31-37-56)71(50-24-18-47(2)19-25-50)60-12-6-42-75-66(60)67-61(71)13-7-43-76-67)57-38-32-54(33-39-57)72(51-26-20-48(3)21-27-51)62-14-8-44-77-68(62)69-63(72)15-9-45-78-69/h4-45H,1-3H3
InChIKeyRQRSSAVRWDFFBU-UHFFFAOYSA-N
MW1014.25 g/mol
LogP15.54
Rot. Bonds9

About 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline

4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline (PubChem CID 122230126) has the molecular formula C72H51N7 and a molecular weight of 1014.25 g/mol. Its IUPAC name is 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline
PubChem CID122230126
Molecular FormulaC72H51N7
Molecular Weight1014.25 g/mol
Exact Mass1013.42
IUPAC Name4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline
SMILESCc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(C)cc6)c6cccnc6-c6ncccc65)cc4)c4ccc(C5(c6ccc(C)cc6)c6cccnc6-c6ncccc65)cc4)cc3)c3cccnc3-c3ncccc32)cc1
InChIInChI=1S/C72H51N7/c1-46-16-22-49(23-17-46)70(58-10-4-40-73-64(58)65-59(70)11-5-41-74-65)52-28-34-55(35-29-52)79(56-36-30-53(31-37-56)71(50-24-18-47(2)19-25-50)60-12-6-42-75-66(60)67-61(71)13-7-43-76-67)57-38-32-54(33-39-57)72(51-26-20-48(3)21-27-51)62-14-8-44-77-68(62)69-63(72)15-9-45-78-69/h4-45H,1-3H3
InChIKeyRQRSSAVRWDFFBU-UHFFFAOYSA-N
XLogP15.54
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.25
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline with MolForge

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Related Compounds

8,8-bis(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58979966
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
4-methyl-N,N-bis[4-[9-[4-(trifluoromethyl)phenyl]fluoren-9-yl]phenyl]aniline
CID 101495641
4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline
CID 59729653
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-[4-[2,7-dimethyl-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-phenylaniline;yttrium(3+)
CID 20779703
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
CID 154985556
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline?
The IUPAC name of 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline (CID 122230126) is 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline.
What is the SMILES notation for 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline?
The canonical SMILES for 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline is Cc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(C)cc6)c6cccnc6-c6ncccc65)cc4)c4ccc(C5(c6ccc(C)cc6)c6cccnc6-c6ncccc65)cc4)cc3)c3cccnc3-c3ncccc32)cc1.
What is the InChIKey of 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline?
The InChIKey is RQRSSAVRWDFFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N7/c1-46-16-22-49(23-17-46)70(58-10-4-40-73-64(58)65-59(70)11-5-41-74-65)52-28-34-55(35-29-52)79(56-36-30-53(31-37-56)71(50-24-18-47(2)19-25-50)60-12-6-42-75-66(60)67-61(71)13-7-43-76-67)57-38-32-54(33-39-57)72(51-26-20-48(3)21-27-51)62-14-8-44-77-68(62)69-63(72)15-9-45-78-69/h4-45H,1-3H3.
What are the key properties of 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline?
4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline has a molecular weight of 1014.25 g/mol, XLogP of 15.54, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]-N,N-bis[4-[8-(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]aniline is sourced from PubChem (CID 122230126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).