4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate

C71H82N2O8 — CID 146213640

IUPAC4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate
SMILESCCCCC(C)(C)OC(=O)OCCCCOCc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(COCCCCOC(=O)OC(C)(C)CCCC)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C71H82N2O8/c1-9-11-41-69(3,4)80-67(74)78-45-19-17-43-76-49-51-25-32-55(33-26-51)72(58-38-39-60-59-21-13-15-23-63(59)71(7,8)64(60)48-58)56-36-29-53(30-37-56)54-31-40-66-62(47-54)61-22-14-16-24-65(61)73(66)57-34-27-52(28-35-57)50-77-44-18-20-46-79-68(75)81-70(5,6)42-12-10-2/h13-16,21-40,47-48H,9-12,17-20,41-46,49-50H2,1-8H3
InChIKeyISBIQNMMKUZEGE-UHFFFAOYSA-N
MW1091.44 g/mol
LogP19.06
Rot. Bonds27

About 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate

4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate (PubChem CID 146213640) has the molecular formula C71H82N2O8 and a molecular weight of 1091.44 g/mol. Its IUPAC name is 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate.

Molecular Properties

Compound Name4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate
PubChem CID146213640
Molecular FormulaC71H82N2O8
Molecular Weight1091.44 g/mol
Exact Mass1090.61
IUPAC Name4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate
SMILESCCCCC(C)(C)OC(=O)OCCCCOCc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(COCCCCOC(=O)OC(C)(C)CCCC)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C71H82N2O8/c1-9-11-41-69(3,4)80-67(74)78-45-19-17-43-76-49-51-25-32-55(33-26-51)72(58-38-39-60-59-21-13-15-23-63(59)71(7,8)64(60)48-58)56-36-29-53(30-37-56)54-31-40-66-62(47-54)61-22-14-16-24-65(61)73(66)57-34-27-52(28-35-57)50-77-44-18-20-46-79-68(75)81-70(5,6)42-12-10-2/h13-16,21-40,47-48H,9-12,17-20,41-46,49-50H2,1-8H3
InChIKeyISBIQNMMKUZEGE-UHFFFAOYSA-N
XLogP19.06
TPSA97.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.44
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate with MolForge

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Related Compounds

N-[4-[4-[[3-[[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]methoxy]-2,2-bis[[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]methoxymethyl]propoxy]methyl]phenyl]phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 58050789
N-[4-[6-[(4-ethenylphenyl)methoxymethyl]-9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-[(4-ethenylphenyl)methoxymethyl]-N-[4-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159199644
6-ethenyl-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[(4-ethenylphenyl)methoxymethyl]-9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160530431
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
4-[3-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]propyl]benzaldehyde
CID 138706403
(1-butylcyclopentyl) 4-[2-[2-[4-(1-butylcyclopentyl)oxycarbonyloxybutyl]-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-5-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]butyl carbonate;(1-butylcyclopentyl) 4-[5-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)-2-(9-phenylcarbazol-3-yl)phenyl]butyl carbonate
CID 159752694
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate
CID 153444197

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate?
The IUPAC name of 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate (CID 146213640) is 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate.
What is the SMILES notation for 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate?
The canonical SMILES for 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate is CCCCC(C)(C)OC(=O)OCCCCOCc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(COCCCCOC(=O)OC(C)(C)CCCC)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate?
The InChIKey is ISBIQNMMKUZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H82N2O8/c1-9-11-41-69(3,4)80-67(74)78-45-19-17-43-76-49-51-25-32-55(33-26-51)72(58-38-39-60-59-21-13-15-23-63(59)71(7,8)64(60)48-58)56-36-29-53(30-37-56)54-31-40-66-62(47-54)61-22-14-16-24-65(61)73(66)57-34-27-52(28-35-57)50-77-44-18-20-46-79-68(75)81-70(5,6)42-12-10-2/h13-16,21-40,47-48H,9-12,17-20,41-46,49-50H2,1-8H3.
What are the key properties of 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate?
4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate has a molecular weight of 1091.44 g/mol, XLogP of 19.06, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate is sourced from PubChem (CID 146213640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).