9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole

C72H50N2 — CID 59181852

IUPAC9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole
SMILESCC1(C)c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-1
InChIInChI=1S/C72H50N2/c1-71(2)59-27-17-26-57-68-56-39-35-45(67-52-22-5-7-24-54(52)70(55-25-8-6-23-53(55)67)74-65-30-15-11-20-50(65)51-21-12-16-31-66(51)74)41-61(56)72(3,4)62(68)42-58(69(57)59)47-38-34-44(40-60(47)71)43-32-36-46(37-33-43)73-63-28-13-9-18-48(63)49-19-10-14-29-64(49)73/h5-42H,1-4H3
InChIKeyYVIAWPOSMKKAGF-UHFFFAOYSA-N
MW943.21 g/mol
LogP19.29
Rot. Bonds4

About 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole

9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole (PubChem CID 59181852) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole
PubChem CID59181852
Molecular FormulaC72H50N2
Molecular Weight943.21 g/mol
Exact Mass942.40
IUPAC Name9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole
SMILESCC1(C)c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-1
InChIInChI=1S/C72H50N2/c1-71(2)59-27-17-26-57-68-56-39-35-45(67-52-22-5-7-24-54(52)70(55-25-8-6-23-53(55)67)74-65-30-15-11-20-50(65)51-21-12-16-31-66(51)74)41-61(56)72(3,4)62(68)42-58(69(57)59)47-38-34-44(40-60(47)71)43-32-36-46(37-33-43)73-63-28-13-9-18-48(63)49-19-10-14-29-64(49)73/h5-42H,1-4H3
InChIKeyYVIAWPOSMKKAGF-UHFFFAOYSA-N
XLogP19.29
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.21
LogP ≤ 519.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole with MolForge

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Related Compounds

3-(8,8-dimethyl-14-phenyl-5-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl)-9-phenylcarbazole
CID 130264649
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylphenyl)carbazole
CID 134528123
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
2-[3-(14,14-dimethyl-8-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]-9-phenylcarbazole
CID 130265499
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118187004

Frequently Asked Questions

What is the IUPAC name of 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole (CID 59181852) is 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole is CC1(C)c2cc(-c3c4ccccc4c(-n4c5ccccc5c5ccccc54)c4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2-1.
What is the InChIKey of 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole?
The InChIKey is YVIAWPOSMKKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-71(2)59-27-17-26-57-68-56-39-35-45(67-52-22-5-7-24-54(52)70(55-25-8-6-23-53(55)67)74-65-30-15-11-20-50(65)51-21-12-16-31-66(51)74)41-61(56)72(3,4)62(68)42-58(69(57)59)47-38-34-44(40-60(47)71)43-32-36-46(37-33-43)73-63-28-13-9-18-48(63)49-19-10-14-29-64(49)73/h5-42H,1-4H3.
What are the key properties of 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole?
9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole has a molecular weight of 943.21 g/mol, XLogP of 19.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[18-(10-carbazol-9-ylanthracen-9-yl)-8,8,21,21-tetramethyl-5-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]phenyl]carbazole is sourced from PubChem (CID 59181852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).