N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine

C67H43N3S — CID 135140431

IUPACN-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1
InChIInChI=1S/C67H43N3S/c1-3-16-44(17-4-1)46-30-34-48(35-31-46)68(50-38-40-54-52-20-7-11-26-60(52)69(63(54)42-50)49-36-32-47(33-37-49)45-18-5-2-6-19-45)51-39-41-58-65(43-51)71-64-29-14-10-24-57(64)67(58)56-23-9-13-28-62(56)70-61-27-12-8-21-53(61)55-22-15-25-59(67)66(55)70/h1-43H
InChIKeyNNDURJFEIXVWPE-UHFFFAOYSA-N
MW922.17 g/mol
LogP17.85
Rot. Bonds6

About N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine

N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine (PubChem CID 135140431) has the molecular formula C67H43N3S and a molecular weight of 922.17 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine
PubChem CID135140431
Molecular FormulaC67H43N3S
Molecular Weight922.17 g/mol
Exact Mass921.32
IUPAC NameN-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1
InChIInChI=1S/C67H43N3S/c1-3-16-44(17-4-1)46-30-34-48(35-31-46)68(50-38-40-54-52-20-7-11-26-60(52)69(63(54)42-50)49-36-32-47(33-37-49)45-18-5-2-6-19-45)51-39-41-58-65(43-51)71-64-29-14-10-24-57(64)67(58)56-23-9-13-28-62(56)70-61-27-12-8-21-53(61)55-22-15-25-59(67)66(55)70/h1-43H
InChIKeyNNDURJFEIXVWPE-UHFFFAOYSA-N
XLogP17.85
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.17
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine with MolForge

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Related Compounds

N,N-diphenyl-4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-10'-ylaniline
CID 134351686
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-amine
CID 135140429
N-(5a,9a-dihydrodibenzothiophen-2-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine
CID 145313741
2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 135139965
N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-4'-amine
CID 135140219
5'-(9-phenylcarbazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-thiochromeno[3,2-c]carbazole]
CID 134351716
10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]-2'-amine
CID 135140047
10'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351728
N-(4-phenylphenyl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 134309310
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698345
N,4-diphenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]-13'-ylphenyl)aniline
CID 134351711
N-(4-carbazol-9-ylphenyl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309232

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine (CID 135140431) is N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine?
The InChIKey is NNDURJFEIXVWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3S/c1-3-16-44(17-4-1)46-30-34-48(35-31-46)68(50-38-40-54-52-20-7-11-26-60(52)69(63(54)42-50)49-36-32-47(33-37-49)45-18-5-2-6-19-45)51-39-41-58-65(43-51)71-64-29-14-10-24-57(64)67(58)56-23-9-13-28-62(56)70-61-27-12-8-21-53(61)55-22-15-25-59(67)66(55)70/h1-43H.
What are the key properties of N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine?
N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine has a molecular weight of 922.17 g/mol, XLogP of 17.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[9-(4-phenylphenyl)carbazol-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]-3'-amine is sourced from PubChem (CID 135140431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).