N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine

C55H39N3 — CID 166844754

IUPACN,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C55H39N3/c1-4-18-38(19-5-1)56(41-32-34-52-46(36-41)45-26-12-16-30-51(45)57(52)39-20-6-2-7-21-39)42-33-35-54-50(37-42)55(47-27-13-10-24-43(47)44-25-11-14-28-48(44)55)49-29-15-17-31-53(49)58(54)40-22-8-3-9-23-40/h1-13,15-27,29-37H,14,28H2
InChIKeyIJTKTOHMLIOZBO-UHFFFAOYSA-N
MW741.94 g/mol
LogP14.49
Rot. Bonds5

About N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine

N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine (PubChem CID 166844754) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine.

Molecular Properties

Compound NameN,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
PubChem CID166844754
Molecular FormulaC55H39N3
Molecular Weight741.94 g/mol
Exact Mass741.31
IUPAC NameN,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C55H39N3/c1-4-18-38(19-5-1)56(41-32-34-52-46(36-41)45-26-12-16-30-51(45)57(52)39-20-6-2-7-21-39)42-33-35-54-50(37-42)55(47-27-13-10-24-43(47)44-25-11-14-28-48(44)55)49-29-15-17-31-53(49)58(54)40-22-8-3-9-23-40/h1-13,15-27,29-37H,14,28H2
InChIKeyIJTKTOHMLIOZBO-UHFFFAOYSA-N
XLogP14.49
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.94
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
CID 166705704
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
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
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
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-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
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
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-(3-phenyl-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylquinoxalin-2-yl)aniline
CID 89079727
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

Frequently Asked Questions

What is the IUPAC name of N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine?
The IUPAC name of N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine (CID 166844754) is N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine.
What is the SMILES notation for N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine?
The canonical SMILES for N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine?
The InChIKey is IJTKTOHMLIOZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3/c1-4-18-38(19-5-1)56(41-32-34-52-46(36-41)45-26-12-16-30-51(45)57(52)39-20-6-2-7-21-39)42-33-35-54-50(37-42)55(47-27-13-10-24-43(47)44-25-11-14-28-48(44)55)49-29-15-17-31-53(49)58(54)40-22-8-3-9-23-40/h1-13,15-27,29-37H,14,28H2.
What are the key properties of N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine?
N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine has a molecular weight of 741.94 g/mol, XLogP of 14.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine is sourced from PubChem (CID 166844754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).