9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole

C59H37NS — CID 146578759

IUPAC9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cccc32)cc1
InChIInChI=1S/C59H37NS/c1-3-18-39(19-4-1)59(40-36-34-38(35-37-40)42-31-17-33-53-54(42)51-30-15-16-32-52(51)60(53)41-20-5-2-6-21-41)55-47-26-11-7-22-43(47)45-24-9-13-28-49(45)57(55)61-58-50-29-14-10-25-46(50)44-23-8-12-27-48(44)56(58)59/h1-37H
InChIKeyWHCULUOWMLFDLB-UHFFFAOYSA-N
MW792.02 g/mol
LogP15.91
Rot. Bonds4

About 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole

9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole (PubChem CID 146578759) has the molecular formula C59H37NS and a molecular weight of 792.02 g/mol. Its IUPAC name is 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole
PubChem CID146578759
Molecular FormulaC59H37NS
Molecular Weight792.02 g/mol
Exact Mass791.26
IUPAC Name9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cccc32)cc1
InChIInChI=1S/C59H37NS/c1-3-18-39(19-4-1)59(40-36-34-38(35-37-40)42-31-17-33-53-54(42)51-30-15-16-32-52(51)60(53)41-20-5-2-6-21-41)55-47-26-11-7-22-43(47)45-24-9-13-28-49(45)57(55)61-58-50-29-14-10-25-46(50)44-23-8-12-27-48(44)56(58)59/h1-37H
InChIKeyWHCULUOWMLFDLB-UHFFFAOYSA-N
XLogP15.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.02
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole with MolForge

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Related Compounds

9-phenyl-2-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-3-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole;9-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole
CID 161077706
17-phenyl-17-[4-(4-phenylphenyl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
CID 146578202
4-(4-ethenylphenyl)-9-phenylcarbazole
CID 58569990
9-phenyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 118488718
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
9-phenyl-4-[3-(9-phenylcarbazol-4-yl)-5-triphenylen-2-ylphenyl]carbazole
CID 118490729
9-phenyl-4-[3-[7-[3-(9-phenylcarbazol-4-yl)phenyl]triphenylen-2-yl]phenyl]carbazole
CID 118490695
9-phenyl-4-[4-[(4-phenylphenyl)methyl]phenyl]carbazole
CID 164569086
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-phenyl-4-(5-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698376
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?
The IUPAC name of 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole (CID 146578759) is 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cccc32)cc1.
What is the InChIKey of 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?
The InChIKey is WHCULUOWMLFDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NS/c1-3-18-39(19-4-1)59(40-36-34-38(35-37-40)42-31-17-33-53-54(42)51-30-15-16-32-52(51)60(53)41-20-5-2-6-21-41)55-47-26-11-7-22-43(47)45-24-9-13-28-49(45)57(55)61-58-50-29-14-10-25-46(50)44-23-8-12-27-48(44)56(58)59/h1-37H.
What are the key properties of 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole?
9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole has a molecular weight of 792.02 g/mol, XLogP of 15.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[4-(17-phenyl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)phenyl]carbazole is sourced from PubChem (CID 146578759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).