N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine

C55H42N2O2 — CID 163432599

IUPACN-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1
InChIInChI=1S/C55H42N2O2/c1-54(2,3)33-23-25-35(26-24-33)56(36-27-28-38-37-17-9-12-20-44(37)57(45(38)31-36)34-15-7-6-8-16-34)46-32-43-51(53-49(46)41-19-11-14-22-48(41)59-53)50-42(55(43,4)5)30-29-40-39-18-10-13-21-47(39)58-52(40)50/h6-32H,1-5H3
InChIKeyARUDJAZTPCXHAF-UHFFFAOYSA-N
MW762.95 g/mol
LogP15.66
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine

N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine (PubChem CID 163432599) has the molecular formula C55H42N2O2 and a molecular weight of 762.95 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine
PubChem CID163432599
Molecular FormulaC55H42N2O2
Molecular Weight762.95 g/mol
Exact Mass762.32
IUPAC NameN-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1
InChIInChI=1S/C55H42N2O2/c1-54(2,3)33-23-25-35(26-24-33)56(36-27-28-38-37-17-9-12-20-44(37)57(45(38)31-36)34-15-7-6-8-16-34)46-32-43-51(53-49(46)41-19-11-14-22-48(41)59-53)50-42(55(43,4)5)30-29-40-39-18-10-13-21-47(39)58-52(40)50/h6-32H,1-5H3
InChIKeyARUDJAZTPCXHAF-UHFFFAOYSA-N
XLogP15.66
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)-15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine
CID 129130326
15-(4-tert-butylphenyl)-15-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-12-N,12-N,18-N,18-N-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163963037
12-N',18-N'-bis(4-tert-butylphenyl)-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene]-12',18'-diamine
CID 138735302
18-N-(6-tert-butylnaphthalen-2-yl)-12-N-(4-tert-butylphenyl)-15,15-dimethyl-12-N,18-N-bis(6-trimethylsilyldibenzofuran-3-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 168728825
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
12-N',18-N'-bis(4-tert-butylphenyl)-26',26'-dimethyl-12-N',18-N'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene]-12',18'-diamine
CID 138735370
N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
CID 155088963
6-N,6-N,31-N,31-N-tetrakis(4-tert-butylphenyl)-3,3,34,34-tetramethyl-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4,6,8,10,12,15,18,21,23,25,27,30,32-pentadecaene-6,31-diamine
CID 134561474
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(4-carbazol-9-ylphenyl)-15-(2,5-dimethylphenyl)-12-N,12-N,18-N,18-N-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(2,5-dimethylphenyl)-15-[9-(3-methylphenyl)carbazol-3-yl]-12-N,12-N,18-N,18-N-tetraphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 163780592

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine (CID 163432599) is N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine is CC(C)(C)c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc3c(c4oc5ccccc5c24)-c2c(ccc4c2oc2ccccc24)C3(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine?
The InChIKey is ARUDJAZTPCXHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2O2/c1-54(2,3)33-23-25-35(26-24-33)56(36-27-28-38-37-17-9-12-20-44(37)57(45(38)31-36)34-15-7-6-8-16-34)46-32-43-51(53-49(46)41-19-11-14-22-48(41)59-53)50-42(55(43,4)5)30-29-40-39-18-10-13-21-47(39)58-52(40)50/h6-32H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine?
N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine has a molecular weight of 762.95 g/mol, XLogP of 15.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(15,15-dimethyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 163432599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).