6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene

C57H47N — CID 144605658

IUPAC6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccc5c(c4)C(C)(C)c4c-5[nH]c5c4ccc4ccccc45)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C57H47N/c1-56(2)50-17-11-10-16-46(50)47-31-29-43(35-51(47)56)44(41-25-23-38(24-26-41)37-12-6-5-7-13-37)30-20-36-18-21-39(22-19-36)42-28-32-48-52(34-42)57(3,4)53-49-33-27-40-14-8-9-15-45(40)54(49)58-55(48)53/h5-19,21-29,31-35,44,58H,20,30H2,1-4H3
InChIKeyPJYCGIJTLDDFMX-UHFFFAOYSA-N
MW746.01 g/mol
LogP15.03
Rot. Bonds7

About 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene

6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene (PubChem CID 144605658) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene.

Molecular Properties

Compound Name6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
PubChem CID144605658
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC Name6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccc5c(c4)C(C)(C)c4c-5[nH]c5c4ccc4ccccc45)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C57H47N/c1-56(2)50-17-11-10-16-46(50)47-31-29-43(35-51(47)56)44(41-25-23-38(24-26-41)37-12-6-5-7-13-37)30-20-36-18-21-39(22-19-36)42-28-32-48-52(34-42)57(3,4)53-49-33-27-40-14-8-9-15-45(40)54(49)58-55(48)53/h5-19,21-29,31-35,44,58H,20,30H2,1-4H3
InChIKeyPJYCGIJTLDDFMX-UHFFFAOYSA-N
XLogP15.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 515.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene with MolForge

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Related Compounds

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4-chloro-2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethylindeno[1,2-b]fluorene
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2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
9,9-dimethyl-2-[1-(4-phenylphenyl)propyl]fluorene
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2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
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2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
The IUPAC name of 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene (CID 144605658) is 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene.
What is the SMILES notation for 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
The canonical SMILES for 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene is CC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccc5c(c4)C(C)(C)c4c-5[nH]c5c4ccc4ccccc45)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
The InChIKey is PJYCGIJTLDDFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-56(2)50-17-11-10-16-46(50)47-31-29-43(35-51(47)56)44(41-25-23-38(24-26-41)37-12-6-5-7-13-37)30-20-36-18-21-39(22-19-36)42-28-32-48-52(34-42)57(3,4)53-49-33-27-40-14-8-9-15-45(40)54(49)58-55(48)53/h5-19,21-29,31-35,44,58H,20,30H2,1-4H3.
What are the key properties of 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene?
6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene has a molecular weight of 746.01 g/mol, XLogP of 15.03, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]phenyl]-3,3-dimethyl-11-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene is sourced from PubChem (CID 144605658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).