N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine

C84H56N2 — CID 166002864

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6c(-c7ccccc7)cccc65)c5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C84H56N2/c1-83(2)70-36-17-13-29-62(70)65-45-44-56(52-75(65)83)85(80-42-22-40-74-82(80)68-34-16-20-39-73(68)84(74)71-37-18-14-30-63(71)64-31-15-19-38-72(64)84)76-49-46-60(58-27-9-11-32-66(58)76)61-47-50-77(67-33-12-10-28-59(61)67)86-78-48-43-55(53-23-5-3-6-24-53)51-69(78)81-57(35-21-41-79(81)86)54-25-7-4-8-26-54/h3-52H,1-2H3
InChIKeyDFJHUIUQGTXRHT-UHFFFAOYSA-N
MW1093.39 g/mol
LogP22.21
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 166002864) has the molecular formula C84H56N2 and a molecular weight of 1093.39 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID166002864
Molecular FormulaC84H56N2
Molecular Weight1093.39 g/mol
Exact Mass1092.44
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6c(-c7ccccc7)cccc65)c5ccccc45)c4ccccc34)cc21
InChIInChI=1S/C84H56N2/c1-83(2)70-36-17-13-29-62(70)65-45-44-56(52-75(65)83)85(80-42-22-40-74-82(80)68-34-16-20-39-73(68)84(74)71-37-18-14-30-63(71)64-31-15-19-38-72(64)84)76-49-46-60(58-27-9-11-32-66(58)76)61-47-50-77(67-33-12-10-28-59(61)67)86-78-48-43-55(53-23-5-3-6-24-53)51-69(78)81-57(35-21-41-79(81)86)54-25-7-4-8-26-54/h3-52H,1-2H3
InChIKeyDFJHUIUQGTXRHT-UHFFFAOYSA-N
XLogP22.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.39
LogP ≤ 522.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-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-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266479
N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568306
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 158020645
N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139567856
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166356
N-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568301
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135168602
N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358469

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine (CID 166002864) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6c(-c7ccccc7)cccc65)c5ccccc45)c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is DFJHUIUQGTXRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2/c1-83(2)70-36-17-13-29-62(70)65-45-44-56(52-75(65)83)85(80-42-22-40-74-82(80)68-34-16-20-39-73(68)84(74)71-37-18-14-30-63(71)64-31-15-19-38-72(64)84)76-49-46-60(58-27-9-11-32-66(58)76)61-47-50-77(67-33-12-10-28-59(61)67)86-78-48-43-55(53-23-5-3-6-24-53)51-69(78)81-57(35-21-41-79(81)86)54-25-7-4-8-26-54/h3-52H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1093.39 g/mol, XLogP of 22.21, 7 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)-N-[4-[4-(3,5-diphenylcarbazol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 166002864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).