2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

C75H55N — CID 177067289

IUPAC2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)c4ccc(-c5cccc6ccccc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C75H55N/c1-48-33-35-51(36-34-48)74(50-21-6-5-7-22-50)66-30-15-12-25-59(66)63-41-38-53(46-70(63)74)76(72-44-43-58(57-24-10-11-28-65(57)72)56-29-18-20-49-19-8-9-23-55(49)56)54-39-42-64-61-27-14-17-32-68(61)75(71(64)47-54)67-31-16-13-26-60(67)62-40-37-52(45-69(62)75)73(2,3)4/h5-47H,1-4H3
InChIKeyZWHCCKKDHWIAGG-UHFFFAOYSA-N
MW970.27 g/mol
LogP19.44
Rot. Bonds6

About 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine

2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 177067289) has the molecular formula C75H55N and a molecular weight of 970.27 g/mol. Its IUPAC name is 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID177067289
Molecular FormulaC75H55N
Molecular Weight970.27 g/mol
Exact Mass969.43
IUPAC Name2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)c4ccc(-c5cccc6ccccc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C75H55N/c1-48-33-35-51(36-34-48)74(50-21-6-5-7-22-50)66-30-15-12-25-59(66)63-41-38-53(46-70(63)74)76(72-44-43-58(57-24-10-11-28-65(57)72)56-29-18-20-49-19-8-9-23-55(49)56)54-39-42-64-61-27-14-17-32-68(61)75(71(64)47-54)67-31-16-13-26-60(67)62-40-37-52(45-69(62)75)73(2,3)4/h5-47H,1-4H3
InChIKeyZWHCCKKDHWIAGG-UHFFFAOYSA-N
XLogP19.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.27
LogP ≤ 519.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine 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

N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N-(2,5-dimethyl-3-phenylphenyl)-9-(4-methylphenyl)-9-phenylfluoren-2-amine
CID 177067327
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177066973
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171730539
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
N-(4-tert-butylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 162199344
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-yl-2-phenylphenyl)fluoren-2-amine
CID 155181598
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-9,9-diphenylfluoren-2-amine
CID 168801848

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 177067289) is 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(C(C)(C)C)cc54)c4ccc(-c5cccc6ccccc56)c5ccccc45)cc32)cc1.
What is the InChIKey of 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is ZWHCCKKDHWIAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H55N/c1-48-33-35-51(36-34-48)74(50-21-6-5-7-22-50)66-30-15-12-25-59(66)63-41-38-53(46-70(63)74)76(72-44-43-58(57-24-10-11-28-65(57)72)56-29-18-20-49-19-8-9-23-55(49)56)54-39-42-64-61-27-14-17-32-68(61)75(71(64)47-54)67-31-16-13-26-60(67)62-40-37-52(45-69(62)75)73(2,3)4/h5-47H,1-4H3.
What are the key properties of 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine?
2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 970.27 g/mol, XLogP of 19.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-N-(4-naphthalen-1-ylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 177067289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).