7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine

C49H34ClN — CID 142521254

IUPAC7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
SMILESClc1ccc2c(c1)C1(C3=C(C=CCC3)c3ccccc31)c1c-2cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H34ClN/c50-37-26-31-42-43-18-11-21-47(48(43)49(46(42)32-37)44-19-9-7-16-40(44)41-17-8-10-20-45(41)49)51(38-27-22-35(23-28-38)33-12-3-1-4-13-33)39-29-24-36(25-30-39)34-14-5-2-6-15-34/h1-9,11-19,21-32H,10,20H2
InChIKeyFLKYNIZEXKYWSM-UHFFFAOYSA-N
MW672.27 g/mol
LogP13.58
Rot. Bonds5

About 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine

7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine (PubChem CID 142521254) has the molecular formula C49H34ClN and a molecular weight of 672.27 g/mol. Its IUPAC name is 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine.

Molecular Properties

Compound Name7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
PubChem CID142521254
Molecular FormulaC49H34ClN
Molecular Weight672.27 g/mol
Exact Mass671.24
IUPAC Name7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
SMILESClc1ccc2c(c1)C1(C3=C(C=CCC3)c3ccccc31)c1c-2cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H34ClN/c50-37-26-31-42-43-18-11-21-47(48(43)49(46(42)32-37)44-19-9-7-16-40(44)41-17-8-10-20-45(41)49)51(38-27-22-35(23-28-38)33-12-3-1-4-13-33)39-29-24-36(25-30-39)34-14-5-2-6-15-34/h1-9,11-19,21-32H,10,20H2
InChIKeyFLKYNIZEXKYWSM-UHFFFAOYSA-N
XLogP13.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.27
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
CID 138581502
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
CID 138581234
N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 156558420
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
CID 166705641
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 123261989
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863

Frequently Asked Questions

What is the IUPAC name of 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine?
The IUPAC name of 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine (CID 142521254) is 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine.
What is the SMILES notation for 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine?
The canonical SMILES for 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine is Clc1ccc2c(c1)C1(C3=C(C=CCC3)c3ccccc31)c1c-2cccc1N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine?
The InChIKey is FLKYNIZEXKYWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34ClN/c50-37-26-31-42-43-18-11-21-47(48(43)49(46(42)32-37)44-19-9-7-16-40(44)41-17-8-10-20-45(41)49)51(38-27-22-35(23-28-38)33-12-3-1-4-13-33)39-29-24-36(25-30-39)34-14-5-2-6-15-34/h1-9,11-19,21-32H,10,20H2.
What are the key properties of 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine?
7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine has a molecular weight of 672.27 g/mol, XLogP of 13.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine is sourced from PubChem (CID 142521254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).