2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine

C61H52F2N4O — CID 172530674

IUPAC2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(Nc5ccccc5Nc5c(-c6ccc(F)cc6)cc(C(C)(C)C)cc5-c5ccc(F)cc5)cc(-c5ccccc5)c4)cc32)c1
InChIInChI=1S/C61H52F2N4O/c1-60(2,3)43-30-31-64-58(36-43)67-56-19-13-10-16-50(56)51-29-28-48(38-57(51)67)68-49-33-42(39-14-8-7-9-15-39)32-47(37-49)65-54-17-11-12-18-55(54)66-59-52(40-20-24-45(62)25-21-40)34-44(61(4,5)6)35-53(59)41-22-26-46(63)27-23-41/h7-38,65-66H,1-6H3
InChIKeyKDWYUSRCRYOXCB-UHFFFAOYSA-N
MW895.11 g/mol
LogP17.33
Rot. Bonds10

About 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine

2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine (PubChem CID 172530674) has the molecular formula C61H52F2N4O and a molecular weight of 895.11 g/mol. Its IUPAC name is 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine
PubChem CID172530674
Molecular FormulaC61H52F2N4O
Molecular Weight895.11 g/mol
Exact Mass894.41
IUPAC Name2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(Nc5ccccc5Nc5c(-c6ccc(F)cc6)cc(C(C)(C)C)cc5-c5ccc(F)cc5)cc(-c5ccccc5)c4)cc32)c1
InChIInChI=1S/C61H52F2N4O/c1-60(2,3)43-30-31-64-58(36-43)67-56-19-13-10-16-50(56)51-29-28-48(38-57(51)67)68-49-33-42(39-14-8-7-9-15-39)32-47(37-49)65-54-17-11-12-18-55(54)66-59-52(40-20-24-45(62)25-21-40)34-44(61(4,5)6)35-53(59)41-22-26-46(63)27-23-41/h7-38,65-66H,1-6H3
InChIKeyKDWYUSRCRYOXCB-UHFFFAOYSA-N
XLogP17.33
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.11
LogP ≤ 517.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine with MolForge

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Related Compounds

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(1S,3S)-N1-((5-(benzyloxy)-1-methyl-1H-indol-3-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclopentane-1,3-diamine
CID 44442148
6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4-phenylmethoxyphenyl)-9H-pyrido[2,3-b]indole
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6-[4-(4-methylpiperazin-1-yl)phenyl]-4-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-9H-pyrido[2,3-b]indole
CID 72194677
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CID 90013773
8-N-methyl-3-N-[(3-phenoxyphenyl)methyl]-9H-pyrido[3,4-b]indole-3,8-diamine
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CID 145962852
N-[[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 154632599
(2-Aminoethyl)(5-methoxy-7-methylpyridino[4,3-c]carbazolyl)amine
CID 471281
2-[4-(dimethylamino)phenyl]-1-methyl-N-(3-phenoxyphenyl)pyrrolo[3,2-c]pyridin-6-amine
CID 155544324
{2-[(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)amino]ethyl}dimethylamine
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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine (CID 172530674) is 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(Nc5ccccc5Nc5c(-c6ccc(F)cc6)cc(C(C)(C)C)cc5-c5ccc(F)cc5)cc(-c5ccccc5)c4)cc32)c1.
What is the InChIKey of 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine?
The InChIKey is KDWYUSRCRYOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52F2N4O/c1-60(2,3)43-30-31-64-58(36-43)67-56-19-13-10-16-50(56)51-29-28-48(38-57(51)67)68-49-33-42(39-14-8-7-9-15-39)32-47(37-49)65-54-17-11-12-18-55(54)66-59-52(40-20-24-45(62)25-21-40)34-44(61(4,5)6)35-53(59)41-22-26-46(63)27-23-41/h7-38,65-66H,1-6H3.
What are the key properties of 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine?
2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine has a molecular weight of 895.11 g/mol, XLogP of 17.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]-1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-phenylphenyl]benzene-1,2-diamine is sourced from PubChem (CID 172530674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).