9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C131H92 — CID 164755351

IUPAC9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCc1ccc2c(c1)-c1c(ccc3c1-c1ccccc1C3(C)C)C2(c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C131H92/c1-87-60-61-125-123(64-87)129-127(63-62-126-128(129)122-58-28-29-59-124(122)130(126,2)3)131(125,120-83-116(100-54-30-50-96(65-100)112-73-104(88-34-12-4-13-35-88)69-105(74-112)89-36-14-5-15-37-89)81-117(84-120)101-55-31-51-97(66-101)113-75-106(90-38-16-6-17-39-90)70-107(76-113)91-40-18-7-19-41-91)121-85-118(102-56-32-52-98(67-102)114-77-108(92-42-20-8-21-43-92)71-109(78-114)93-44-22-9-23-45-93)82-119(86-121)103-57-33-53-99(68-103)115-79-110(94-46-24-10-25-47-94)72-111(80-115)95-48-26-11-27-49-95/h4-86H,1-3H3
InChIKeyCBRPXVFTAMDVPP-UHFFFAOYSA-N
MW1666.18 g/mol
LogP35.34
Rot. Bonds18

About 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 164755351) has the molecular formula C131H92 and a molecular weight of 1666.18 g/mol. Its IUPAC name is 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID164755351
Molecular FormulaC131H92
Molecular Weight1666.18 g/mol
Exact Mass1664.72
IUPAC Name9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCc1ccc2c(c1)-c1c(ccc3c1-c1ccccc1C3(C)C)C2(c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C131H92/c1-87-60-61-125-123(64-87)129-127(63-62-126-128(129)122-58-28-29-59-124(122)130(126,2)3)131(125,120-83-116(100-54-30-50-96(65-100)112-73-104(88-34-12-4-13-35-88)69-105(74-112)89-36-14-5-15-37-89)81-117(84-120)101-55-31-51-97(66-101)113-75-106(90-38-16-6-17-39-90)70-107(76-113)91-40-18-7-19-41-91)121-85-118(102-56-32-52-98(67-102)114-77-108(92-42-20-8-21-43-92)71-109(78-114)93-44-22-9-23-45-93)82-119(86-121)103-57-33-53-99(68-103)115-79-110(94-46-24-10-25-47-94)72-111(80-115)95-48-26-11-27-49-95/h4-86H,1-3H3
InChIKeyCBRPXVFTAMDVPP-UHFFFAOYSA-N
XLogP35.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001666.18
LogP ≤ 535.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

9,9-bis[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-3-methyl-5-(3-phenylphenyl)fluorene
CID 164755492
3-methyl-5-phenyl-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755332
3-methyl-5-(2-methylphenyl)-9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 164755543
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-bis[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-3-methyl-5-(2-phenylphenyl)fluorene
CID 164755546
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4-(2,4,6-trimethylphenyl)fluorene
CID 164755349
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
9,9-bis(3,5-dibromophenyl)-3-methyl-5-phenylfluorene
CID 164755474
9,9-bis[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-5-(3-phenylphenyl)indeno[1,2-f][1,3]benzodioxole
CID 164755577
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 164755351) is 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is Cc1ccc2c(c1)-c1c(ccc3c1-c1ccccc1C3(C)C)C2(c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1)c1cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)cc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is CBRPXVFTAMDVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H92/c1-87-60-61-125-123(64-87)129-127(63-62-126-128(129)122-58-28-29-59-124(122)130(126,2)3)131(125,120-83-116(100-54-30-50-96(65-100)112-73-104(88-34-12-4-13-35-88)69-105(74-112)89-36-14-5-15-37-89)81-117(84-120)101-55-31-51-97(66-101)113-75-106(90-38-16-6-17-39-90)70-107(76-113)91-40-18-7-19-41-91)121-85-118(102-56-32-52-98(67-102)114-77-108(92-42-20-8-21-43-92)71-109(78-114)93-44-22-9-23-45-93)82-119(86-121)103-57-33-53-99(68-103)115-79-110(94-46-24-10-25-47-94)72-111(80-115)95-48-26-11-27-49-95/h4-86H,1-3H3.
What are the key properties of 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 1666.18 g/mol, XLogP of 35.34, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-5,14,14-trimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 164755351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).