N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine

C86H72N2 — CID 166048969

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine
SMILESCC(C)(C)CC(c1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc5c(c4)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4n5-c4ccccc4)cc31)c1ccccc1-2)C(C)(C)C
InChIInChI=1S/C86H72N2/c1-83(2,3)54-80(84(4,5)6)65-28-16-15-27-64(65)59-38-45-71-68-31-19-22-34-76(68)86(79(71)51-59)75-33-21-18-30-67(75)70-44-37-58(50-78(70)86)57-39-47-81-72(49-57)73-52-62(43-48-82(73)88(81)60-25-13-10-14-26-60)87(61-40-35-56(36-41-61)55-23-11-9-12-24-55)63-42-46-69-66-29-17-20-32-74(66)85(7,8)77(69)53-63/h9-53,80H,54H2,1-8H3
InChIKeyRVXYCQXJWJWWFS-UHFFFAOYSA-N
MW1133.54 g/mol
LogP23.47
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine (PubChem CID 166048969) has the molecular formula C86H72N2 and a molecular weight of 1133.54 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine
PubChem CID166048969
Molecular FormulaC86H72N2
Molecular Weight1133.54 g/mol
Exact Mass1132.57
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine
SMILESCC(C)(C)CC(c1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc5c(c4)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4n5-c4ccccc4)cc31)c1ccccc1-2)C(C)(C)C
InChIInChI=1S/C86H72N2/c1-83(2,3)54-80(84(4,5)6)65-28-16-15-27-64(65)59-38-45-71-68-31-19-22-34-76(68)86(79(71)51-59)75-33-21-18-30-67(75)70-44-37-58(50-78(70)86)57-39-47-81-72(49-57)73-52-62(43-48-82(73)88(81)60-25-13-10-14-26-60)87(61-40-35-56(36-41-61)55-23-11-9-12-24-55)63-42-46-69-66-29-17-20-32-74(66)85(7,8)77(69)53-63/h9-53,80H,54H2,1-8H3
InChIKeyRVXYCQXJWJWWFS-UHFFFAOYSA-N
XLogP23.47
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.54
LogP ≤ 523.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 166049015
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 154986884
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-yl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 162217373
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-propan-2-ylphenyl)-6-[4-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 146352295
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 126605201
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167334138

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine (CID 166048969) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine is CC(C)(C)CC(c1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc5c(c4)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4n5-c4ccccc4)cc31)c1ccccc1-2)C(C)(C)C.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine?
The InChIKey is RVXYCQXJWJWWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H72N2/c1-83(2,3)54-80(84(4,5)6)65-28-16-15-27-64(65)59-38-45-71-68-31-19-22-34-76(68)86(79(71)51-59)75-33-21-18-30-67(75)70-44-37-58(50-78(70)86)57-39-47-81-72(49-57)73-52-62(43-48-82(73)88(81)60-25-13-10-14-26-60)87(61-40-35-56(36-41-61)55-23-11-9-12-24-55)63-42-46-69-66-29-17-20-32-74(66)85(7,8)77(69)53-63/h9-53,80H,54H2,1-8H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine has a molecular weight of 1133.54 g/mol, XLogP of 23.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)-6-[2'-[2-(2,2,5,5-tetramethylhexan-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-yl]carbazol-3-amine is sourced from PubChem (CID 166048969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).