2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine

C79H57N5 — CID 166937527

IUPAC2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine
SMILESC1=CC2=C(CC1)C1=CC(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)=CCC1N2c1ccccc1
InChIInChI=1S/C79H57N5/c1-6-24-54(25-7-1)80(59-44-48-75-67(50-59)65-34-16-20-38-73(65)82(75)56-28-10-3-11-29-56)61-42-46-63-64-47-43-62(53-72(64)79(71(63)52-61)69-36-18-22-40-77(69)84(58-32-14-5-15-33-58)78-41-23-19-37-70(78)79)81(55-26-8-2-9-27-55)60-45-49-76-68(51-60)66-35-17-21-39-74(66)83(76)57-30-12-4-13-31-57/h1-16,18-34,36-48,50-53,76H,17,35,49H2
InChIKeyDOUZSWGWDBNHEP-UHFFFAOYSA-N
MW1076.36 g/mol
LogP20.24
Rot. Bonds9

About 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine

2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine (PubChem CID 166937527) has the molecular formula C79H57N5 and a molecular weight of 1076.36 g/mol. Its IUPAC name is 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine
PubChem CID166937527
Molecular FormulaC79H57N5
Molecular Weight1076.36 g/mol
Exact Mass1075.46
IUPAC Name2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine
SMILESC1=CC2=C(CC1)C1=CC(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)=CCC1N2c1ccccc1
InChIInChI=1S/C79H57N5/c1-6-24-54(25-7-1)80(59-44-48-75-67(50-59)65-34-16-20-38-73(65)82(75)56-28-10-3-11-29-56)61-42-46-63-64-47-43-62(53-72(64)79(71(63)52-61)69-36-18-22-40-77(69)84(58-32-14-5-15-33-58)78-41-23-19-37-70(78)79)81(55-26-8-2-9-27-55)60-45-49-76-68(51-60)66-35-17-21-39-74(66)83(76)57-30-12-4-13-31-57/h1-16,18-34,36-48,50-53,76H,17,35,49H2
InChIKeyDOUZSWGWDBNHEP-UHFFFAOYSA-N
XLogP20.24
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001076.36
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine with MolForge

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Related Compounds

N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166844754
1,13-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750848
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine
CID 155150330
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
9,9-diphenyl-N-(4-phenylphenyl)-N-[2-(9,9,10-triphenylacridin-3-yl)phenyl]fluoren-2-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-(9,9,10-triphenylacridin-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-(9,9,10-triphenylacridin-3-yl)aniline
CID 158038335
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine?
The IUPAC name of 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine (CID 166937527) is 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine is C1=CC2=C(CC1)C1=CC(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)=CCC1N2c1ccccc1.
What is the InChIKey of 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine?
The InChIKey is DOUZSWGWDBNHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H57N5/c1-6-24-54(25-7-1)80(59-44-48-75-67(50-59)65-34-16-20-38-73(65)82(75)56-28-10-3-11-29-56)61-42-46-63-64-47-43-62(53-72(64)79(71(63)52-61)69-36-18-22-40-77(69)84(58-32-14-5-15-33-58)78-41-23-19-37-70(78)79)81(55-26-8-2-9-27-55)60-45-49-76-68(51-60)66-35-17-21-39-74(66)83(76)57-30-12-4-13-31-57/h1-16,18-34,36-48,50-53,76H,17,35,49H2.
What are the key properties of 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine?
2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine has a molecular weight of 1076.36 g/mol, XLogP of 20.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 166937527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).