9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole

C74H46N2O2 — CID 89104755

IUPAC9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2c3ccccc3c(C3=CC4=C(CC3)c3ccc5c6c(ccc(c36)O4)Oc3cc(-c4c6ccccc6c(-n6c7ccccc7c7ccccc76)c6ccccc46)ccc3-5)c3ccccc23)CC1
InChIInChI=1S/C74H46N2O2/c1-5-25-57-51(21-1)69(52-22-2-6-26-58(52)73(57)75-61-29-13-9-17-45(61)46-18-10-14-30-62(46)75)43-33-35-49-55-37-38-56-50-36-34-44(42-68(50)78-66-40-39-65(71(55)72(56)66)77-67(49)41-43)70-53-23-3-7-27-59(53)74(60-28-8-4-24-54(60)70)76-63-31-15-11-19-47(63)48-20-12-16-32-64(48)76/h1-11,13-19,21-33,35,37-42H,12,20,34,36H2
InChIKeyCSNJMCDUGLBGEZ-UHFFFAOYSA-N
MW995.19 g/mol
LogP19.87
Rot. Bonds4

About 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole

9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole (PubChem CID 89104755) has the molecular formula C74H46N2O2 and a molecular weight of 995.19 g/mol. Its IUPAC name is 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole
PubChem CID89104755
Molecular FormulaC74H46N2O2
Molecular Weight995.19 g/mol
Exact Mass994.36
IUPAC Name9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2c3ccccc3c(C3=CC4=C(CC3)c3ccc5c6c(ccc(c36)O4)Oc3cc(-c4c6ccccc6c(-n6c7ccccc7c7ccccc76)c6ccccc46)ccc3-5)c3ccccc23)CC1
InChIInChI=1S/C74H46N2O2/c1-5-25-57-51(21-1)69(52-22-2-6-26-58(52)73(57)75-61-29-13-9-17-45(61)46-18-10-14-30-62(46)75)43-33-35-49-55-37-38-56-50-36-34-44(42-68(50)78-66-40-39-65(71(55)72(56)66)77-67(49)41-43)70-53-23-3-7-27-59(53)74(60-28-8-4-24-54(60)70)76-63-31-15-11-19-47(63)48-20-12-16-32-64(48)76/h1-11,13-19,21-33,35,37-42H,12,20,34,36H2
InChIKeyCSNJMCDUGLBGEZ-UHFFFAOYSA-N
XLogP19.87
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.19
LogP ≤ 519.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole?
The IUPAC name of 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole (CID 89104755) is 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole is C1=Cc2c(c3ccccc3n2-c2c3ccccc3c(C3=CC4=C(CC3)c3ccc5c6c(ccc(c36)O4)Oc3cc(-c4c6ccccc6c(-n6c7ccccc7c7ccccc76)c6ccccc46)ccc3-5)c3ccccc23)CC1.
What is the InChIKey of 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole?
The InChIKey is CSNJMCDUGLBGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2O2/c1-5-25-57-51(21-1)69(52-22-2-6-26-58(52)73(57)75-61-29-13-9-17-45(61)46-18-10-14-30-62(46)75)43-33-35-49-55-37-38-56-50-36-34-44(42-68(50)78-66-40-39-65(71(55)72(56)66)77-67(49)41-43)70-53-23-3-7-27-59(53)74(60-28-8-4-24-54(60)70)76-63-31-15-11-19-47(63)48-20-12-16-32-64(48)76/h1-11,13-19,21-33,35,37-42H,12,20,34,36H2.
What are the key properties of 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole?
9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole has a molecular weight of 995.19 g/mol, XLogP of 19.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-[16-[10-(3,4-dihydrocarbazol-9-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,20(24),21-decaen-5-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 89104755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).