bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone

C71H50N4O — CID 89095721

IUPACbis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone
SMILESCC1(C)c2cc3c(cc2-n2c1c(-c1ccccc1)c1ccccc12)c1ccccc1n3-c1cccc(C(=O)c2cccc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3c(-c4ccccc4)c4ccccc4n3-5)c2)c1
InChIInChI=1S/C71H50N4O/c1-70(2)55-41-61-53(39-63(55)74-59-35-17-13-31-51(59)65(68(70)74)43-21-7-5-8-22-43)49-29-11-15-33-57(49)72(61)47-27-19-25-45(37-47)67(76)46-26-20-28-48(38-46)73-58-34-16-12-30-50(58)54-40-64-56(42-62(54)73)71(3,4)69-66(44-23-9-6-10-24-44)52-32-14-18-36-60(52)75(64)69/h5-42H,1-4H3
InChIKeyKYTMZLRGGJCUMJ-UHFFFAOYSA-N
MW975.21 g/mol
LogP17.61
Rot. Bonds6

About bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone

bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone (PubChem CID 89095721) has the molecular formula C71H50N4O and a molecular weight of 975.21 g/mol. Its IUPAC name is bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone.

Molecular Properties

Compound Namebis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone
PubChem CID89095721
Molecular FormulaC71H50N4O
Molecular Weight975.21 g/mol
Exact Mass974.40
IUPAC Namebis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone
SMILESCC1(C)c2cc3c(cc2-n2c1c(-c1ccccc1)c1ccccc12)c1ccccc1n3-c1cccc(C(=O)c2cccc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3c(-c4ccccc4)c4ccccc4n3-5)c2)c1
InChIInChI=1S/C71H50N4O/c1-70(2)55-41-61-53(39-63(55)74-59-35-17-13-31-51(59)65(68(70)74)43-21-7-5-8-22-43)49-29-11-15-33-57(49)72(61)47-27-19-25-45(37-47)67(76)46-26-20-28-48(38-46)73-58-34-16-12-30-50(58)54-40-64-56(42-62(54)73)71(3,4)69-66(44-23-9-6-10-24-44)52-32-14-18-36-60(52)75(64)69/h5-42H,1-4H3
InChIKeyKYTMZLRGGJCUMJ-UHFFFAOYSA-N
XLogP17.61
TPSA36.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.21
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone with MolForge

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Related Compounds

[3-(10,10-dimethyl-11-phenylindolo[1,2-a]indol-2-yl)phenyl]-(3-phenylphenyl)methanone
CID 70911979
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
phenyl-[3-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)phenyl]methanone
CID 118315223
14,14,21-trimethyl-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580601
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
[2',7'-di(carbazol-9-yl)-7-(4-phenylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-phenylphenyl)methanone
CID 58084748
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole
CID 70911908
[5-(3-carbazol-9-ylphenyl)-2-methylphenyl]-(2-methylphenyl)methanone
CID 145157854
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
CID 126598422
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 126598362
(4-methylphenyl)-[11,11,12,12-tetramethyl-2-(4-methylbenzoyl)indeno[2,1-a]fluoren-9-yl]methanone;5-phenyl-11-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]indolo[3,2-b]carbazole;(2-phenylphenyl)-[11,11,12,12-tetramethyl-2-(2-phenylbenzoyl)indeno[2,1-a]fluoren-9-yl]methanone;(2-phenylphenyl)-[6,6,12,12-tetramethyl-2-(2-phenylbenzoyl)indeno[1,2-b]fluoren-8-yl]methanone
CID 159548823

Frequently Asked Questions

What is the IUPAC name of bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone?
The IUPAC name of bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone (CID 89095721) is bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone.
What is the SMILES notation for bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone?
The canonical SMILES for bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone is CC1(C)c2cc3c(cc2-n2c1c(-c1ccccc1)c1ccccc12)c1ccccc1n3-c1cccc(C(=O)c2cccc(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3c(-c4ccccc4)c4ccccc4n3-5)c2)c1.
What is the InChIKey of bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone?
The InChIKey is KYTMZLRGGJCUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N4O/c1-70(2)55-41-61-53(39-63(55)74-59-35-17-13-31-51(59)65(68(70)74)43-21-7-5-8-22-43)49-29-11-15-33-57(49)72(61)47-27-19-25-45(37-47)67(76)46-26-20-28-48(38-46)73-58-34-16-12-30-50(58)54-40-64-56(42-62(54)73)71(3,4)69-66(44-23-9-6-10-24-44)52-32-14-18-36-60(52)75(64)69/h5-42H,1-4H3.
What are the key properties of bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone?
bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone has a molecular weight of 975.21 g/mol, XLogP of 17.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(14,14-dimethyl-16-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaen-10-yl)phenyl]methanone is sourced from PubChem (CID 89095721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).