N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline

C81H68N2 — CID 170304099

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C81H68N2/c1-78(2,3)55-41-54(42-56(46-55)79(4,5)6)62-31-19-21-50-22-20-32-68(77(50)62)66-30-13-17-36-73(66)83(60-26-18-23-51(43-60)52-37-40-67-65-29-12-16-35-72(65)82(74(67)45-52)59-24-8-7-9-25-59)71-34-15-11-27-61(71)53-38-39-64-63-28-10-14-33-69(63)81(70(64)44-53)75-48-57-47-58-49-76(81)80(57,58)75/h7-46,57-58,75-76H,47-49H2,1-6H3
InChIKeyWBBGGTVXSQIQLZ-UHFFFAOYSA-N
MW1069.45 g/mol
LogP21.61
Rot. Bonds8

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline (PubChem CID 170304099) has the molecular formula C81H68N2 and a molecular weight of 1069.45 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
PubChem CID170304099
Molecular FormulaC81H68N2
Molecular Weight1069.45 g/mol
Exact Mass1068.54
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C81H68N2/c1-78(2,3)55-41-54(42-56(46-55)79(4,5)6)62-31-19-21-50-22-20-32-68(77(50)62)66-30-13-17-36-73(66)83(60-26-18-23-51(43-60)52-37-40-67-65-29-12-16-35-72(65)82(74(67)45-52)59-24-8-7-9-25-59)71-34-15-11-27-61(71)53-38-39-64-63-28-10-14-33-69(63)81(70(64)44-53)75-48-57-47-58-49-76(81)80(57,58)75/h7-46,57-58,75-76H,47-49H2,1-6H3
InChIKeyWBBGGTVXSQIQLZ-UHFFFAOYSA-N
XLogP21.61
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.45
LogP ≤ 521.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline 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-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170304124
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170304094
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
CID 170302446
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170297134
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170304052
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298322
N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298373

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline (CID 170304099) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c4ccccc4-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4C675)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
The InChIKey is WBBGGTVXSQIQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N2/c1-78(2,3)55-41-54(42-56(46-55)79(4,5)6)62-31-19-21-50-22-20-32-68(77(50)62)66-30-13-17-36-73(66)83(60-26-18-23-51(43-60)52-37-40-67-65-29-12-16-35-72(65)82(74(67)45-52)59-24-8-7-9-25-59)71-34-15-11-27-61(71)53-38-39-64-63-28-10-14-33-69(63)81(70(64)44-53)75-48-57-47-58-49-76(81)80(57,58)75/h7-46,57-58,75-76H,47-49H2,1-6H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline has a molecular weight of 1069.45 g/mol, XLogP of 21.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline is sourced from PubChem (CID 170304099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).