12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C48H32 — CID 159880784

IUPAC12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4-c4c3ccc3ccccc43)-c3ccccc3C5c3ccccc3)c2)cc1
InChIInChI=1S/C48H32/c1-4-14-31(15-5-1)35-26-36(32-16-6-2-7-17-32)28-37(27-35)47-41-25-24-33-18-10-11-21-38(33)48(41)45-29-42-39-22-12-13-23-40(39)46(43(42)30-44(45)47)34-19-8-3-9-20-34/h1-30,46-47H
InChIKeyYIVHXMSPWAVHEN-UHFFFAOYSA-N
MW608.78 g/mol
LogP12.49
Rot. Bonds4

About 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 159880784) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID159880784
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4-c4c3ccc3ccccc43)-c3ccccc3C5c3ccccc3)c2)cc1
InChIInChI=1S/C48H32/c1-4-14-31(15-5-1)35-26-36(32-16-6-2-7-17-32)28-37(27-35)47-41-25-24-33-18-10-11-21-38(33)48(41)45-29-42-39-22-12-13-23-40(39)46(43(42)30-44(45)47)34-19-8-3-9-20-34/h1-30,46-47H
InChIKeyYIVHXMSPWAVHEN-UHFFFAOYSA-N
XLogP12.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine
CID 156512694
10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775049
12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 159880783
9-[4-[3-[4-(9H-fluoren-9-yl)phenyl]-5-naphthalen-1-ylphenyl]phenyl]-9H-fluorene
CID 58556083
3-(12-phenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)-1-(4-phenylphenyl)isoquinoline
CID 126753332
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
CID 164811988
2-[3-(7,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;2-[3-(11,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158775048
10-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-12-phenyl-10,12-dihydroindeno[2,1-b]fluorene;10-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]-12-phenyl-10,12-dihydroindeno[2,1-b]fluorene
CID 158834334
2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155115035
2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaenyl)naphthalen-1-yl]-1,3,5-triazine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-7-phenylindolo[2,3-b]carbazole;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159332333
9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159713563

Frequently Asked Questions

What is the IUPAC name of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 159880784) is 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2cc(-c3ccccc3)cc(C3c4cc5c(cc4-c4c3ccc3ccccc43)-c3ccccc3C5c3ccccc3)c2)cc1.
What is the InChIKey of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is YIVHXMSPWAVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-4-14-31(15-5-1)35-26-36(32-16-6-2-7-17-32)28-37(27-35)47-41-25-24-33-18-10-11-21-38(33)48(41)45-29-42-39-22-12-13-23-40(39)46(43(42)30-44(45)47)34-19-8-3-9-20-34/h1-30,46-47H.
What are the key properties of 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 608.78 g/mol, XLogP of 12.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,5-diphenylphenyl)-16-phenylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 159880784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).