2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine

C63H52N4O — CID 162704482

IUPAC2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2Nc2ccccc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5cc(C6(c7ccccc7)C7CC8CC(C7)CC6C8)ccn5)c4c3)c2)cc1
InChIInChI=1S/C63H52N4O/c1-4-16-44(17-5-1)53-25-15-26-54(45-18-6-2-7-19-45)62(53)66-58-28-12-11-27-57(58)65-50-22-14-23-51(40-50)68-52-30-31-56-55-24-10-13-29-59(55)67(60(56)41-52)61-39-47(32-33-64-61)63(46-20-8-3-9-21-46)48-35-42-34-43(37-48)38-49(63)36-42/h1-33,39-43,48-49,65-66H,34-38H2
InChIKeyFZUHQFLPCBFZRL-UHFFFAOYSA-N
MW881.14 g/mol
LogP16.53
Rot. Bonds11

About 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine

2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine (PubChem CID 162704482) has the molecular formula C63H52N4O and a molecular weight of 881.14 g/mol. Its IUPAC name is 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
PubChem CID162704482
Molecular FormulaC63H52N4O
Molecular Weight881.14 g/mol
Exact Mass880.41
IUPAC Name2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2Nc2ccccc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5cc(C6(c7ccccc7)C7CC8CC(C7)CC6C8)ccn5)c4c3)c2)cc1
InChIInChI=1S/C63H52N4O/c1-4-16-44(17-5-1)53-25-15-26-54(45-18-6-2-7-19-45)62(53)66-58-28-12-11-27-57(58)65-50-22-14-23-51(40-50)68-52-30-31-56-55-24-10-13-29-59(55)67(60(56)41-52)61-39-47(32-33-64-61)63(46-20-8-3-9-21-46)48-35-42-34-43(37-48)38-49(63)36-42/h1-33,39-43,48-49,65-66H,34-38H2
InChIKeyFZUHQFLPCBFZRL-UHFFFAOYSA-N
XLogP16.53
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 516.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-methyltriazol-4-yl)phenoxy]-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696265
2-N-(2,6-diphenylphenyl)-1-N-[3-[9-(5-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
CID 165167854
2-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696304
1-N-[3-[[9-(4-tert-butyl-2-pyridinyl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12,14,16,19,21,23,25-dodecaen-6-yl]oxy]phenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 176844591
2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
CID 162704363
1-N-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2-N-(trideuteriomethyl)benzene-1,2-diamine
CID 164725490
1-N-[3-[9-(4-tert-butylselenopheno[2,3-b]pyridin-6-yl)carbazol-2-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 167378701
2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
CID 162696349
1-N-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-2-N-(2,6-diphenylphenyl)benzene-1,2-diamine
CID 170271181
9-methyl-1-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxy-3-(3-phenyl-2H-benzimidazol-1-yl)carbazole
CID 162696222
1-[2-[2-[2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazol-9-yl]-4-pyridinyl]-2-adamantyl]azaborinino[1,2-a]azaborinine
CID 162704397
2-N-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N-[3-[9-(5,5-dimethylindeno[1,2-c]pyridin-3-yl)carbazol-2-yl]oxyphenyl]benzene-1,2-diamine
CID 162460796

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine (CID 162704482) is 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine is c1ccc(-c2cccc(-c3ccccc3)c2Nc2ccccc2Nc2cccc(Oc3ccc4c5ccccc5n(-c5cc(C6(c7ccccc7)C7CC8CC(C7)CC6C8)ccn5)c4c3)c2)cc1.
What is the InChIKey of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?
The InChIKey is FZUHQFLPCBFZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N4O/c1-4-16-44(17-5-1)53-25-15-26-54(45-18-6-2-7-19-45)62(53)66-58-28-12-11-27-57(58)65-50-22-14-23-51(40-50)68-52-30-31-56-55-24-10-13-29-59(55)67(60(56)41-52)61-39-47(32-33-64-61)63(46-20-8-3-9-21-46)48-35-42-34-43(37-48)38-49(63)36-42/h1-33,39-43,48-49,65-66H,34-38H2.
What are the key properties of 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine?
2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine has a molecular weight of 881.14 g/mol, XLogP of 16.53, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-diphenylphenyl)-1-N-[3-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]benzene-1,2-diamine is sourced from PubChem (CID 162704482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).