2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]

C67H50 — CID 145092823

IUPAC2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILESC[C@H](c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc4-c4ccccc42)c2ccccc2-3)cc1)[C@H](c1ccc(-c2ccccc2)cc1)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C67H50/c1-43(64(48-38-36-46(37-39-48)45-18-5-4-6-19-45)58-27-17-26-57-55-25-9-13-28-59(55)66(2,3)65(57)58)44-32-34-47(35-33-44)49-40-41-56-54-24-12-16-31-62(54)67(63(56)42-49)60-29-14-10-22-52(60)50-20-7-8-21-51(50)53-23-11-15-30-61(53)67/h4-43,64H,1-3H3/t43-,64-/m1/s1
InChIKeyABZHOXAJOLVYFJ-KCAJMPFASA-N
MW855.14 g/mol
LogP17.27
Rot. Bonds6

About 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]

2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] (PubChem CID 145092823) has the molecular formula C67H50 and a molecular weight of 855.14 g/mol. Its IUPAC name is 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene].

Molecular Properties

Compound Name2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
PubChem CID145092823
Molecular FormulaC67H50
Molecular Weight855.14 g/mol
Exact Mass854.39
IUPAC Name2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILESC[C@H](c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc4-c4ccccc42)c2ccccc2-3)cc1)[C@H](c1ccc(-c2ccccc2)cc1)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C67H50/c1-43(64(48-38-36-46(37-39-48)45-18-5-4-6-19-45)58-27-17-26-57-55-25-9-13-28-59(55)66(2,3)65(57)58)44-32-34-47(35-33-44)49-40-41-56-54-24-12-16-31-62(54)67(63(56)42-49)60-29-14-10-22-52(60)50-20-7-8-21-51(50)53-23-11-15-30-61(53)67/h4-43,64H,1-3H3/t43-,64-/m1/s1
InChIKeyABZHOXAJOLVYFJ-KCAJMPFASA-N
XLogP17.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.14
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 140941835
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
4-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 146247412
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
CID 140720702
CID 140720702
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
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
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
The IUPAC name of 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] (CID 145092823) is 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene].
What is the SMILES notation for 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
The canonical SMILES for 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] is C[C@H](c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc4-c4ccccc42)c2ccccc2-3)cc1)[C@H](c1ccc(-c2ccccc2)cc1)c1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
The InChIKey is ABZHOXAJOLVYFJ-KCAJMPFASA-N. The full InChI is InChI=1S/C67H50/c1-43(64(48-38-36-46(37-39-48)45-18-5-4-6-19-45)58-27-17-26-57-55-25-9-13-28-59(55)66(2,3)65(57)58)44-32-34-47(35-33-44)49-40-41-56-54-24-12-16-31-62(54)67(63(56)42-49)60-29-14-10-22-52(60)50-20-7-8-21-51(50)53-23-11-15-30-61(53)67/h4-43,64H,1-3H3/t43-,64-/m1/s1.
What are the key properties of 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]?
2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] has a molecular weight of 855.14 g/mol, XLogP of 17.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene] is sourced from PubChem (CID 145092823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).