3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene

C49H35N — CID 122464854

IUPAC3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
SMILESCC1(C)c2cc3ccccc3cc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c21
InChIInChI=1S/C49H35N/c1-49(2)44-26-25-42-41-19-11-12-20-46(41)50(48(42)47(44)43-30-35-17-9-10-18-36(35)31-45(43)49)40-23-21-34(22-24-40)39-28-37(32-13-5-3-6-14-32)27-38(29-39)33-15-7-4-8-16-33/h3-31H,1-2H3
InChIKeyFZDDCYKBHWDZSR-UHFFFAOYSA-N
MW637.83 g/mol
LogP13.24
Rot. Bonds4

About 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene

3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene (PubChem CID 122464854) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
PubChem CID122464854
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
SMILESCC1(C)c2cc3ccccc3cc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c21
InChIInChI=1S/C49H35N/c1-49(2)44-26-25-42-41-19-11-12-20-46(41)50(48(42)47(44)43-30-35-17-9-10-18-36(35)31-45(43)49)40-23-21-34(22-24-40)39-28-37(32-13-5-3-6-14-32)27-38(29-39)33-15-7-4-8-16-33/h3-31H,1-2H3
InChIKeyFZDDCYKBHWDZSR-UHFFFAOYSA-N
XLogP13.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene with MolForge

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Related Compounds

12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464780
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
11-[4-(3,5-diphenylphenyl)phenyl]-3-methoxy-12,12-dimethylindeno[2,1-a]carbazole
CID 121287061
14,14,15,15-tetramethyl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;14,14,15,15-tetramethyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene;14,14,15,15-tetramethyl-9-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene
CID 163899658
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
3-[3-[6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794692
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
The IUPAC name of 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene (CID 122464854) is 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene.
What is the SMILES notation for 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
The canonical SMILES for 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene is CC1(C)c2cc3ccccc3cc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c21.
What is the InChIKey of 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
The InChIKey is FZDDCYKBHWDZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-49(2)44-26-25-42-41-19-11-12-20-46(41)50(48(42)47(44)43-30-35-17-9-10-18-36(35)31-45(43)49)40-23-21-34(22-24-40)39-28-37(32-13-5-3-6-14-32)27-38(29-39)33-15-7-4-8-16-33/h3-31H,1-2H3.
What are the key properties of 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene?
3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene has a molecular weight of 637.83 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 122464854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).