CID 155428052

C62H46N2S2 — CID 155428052

IUPAC—
SMILESCc1cccc(N(c2cccc(C)c2)c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc(C)c4)c4cccc(C)c4)sc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C62H46N2S2/c1-39-17-13-21-43(33-39)63(44-22-14-18-40(2)34-44)57-37-55-59(65-57)62(53-31-11-7-27-49(53)50-28-8-12-32-54(50)62)56-38-58(64(45-23-15-19-41(3)35-45)46-24-16-20-42(4)36-46)66-60(56)61(55)51-29-9-5-25-47(51)48-26-6-10-30-52(48)61/h5-38H,1-4H3
InChIKeyIZOKPSMQHQLLBX-UHFFFAOYSA-N
MW883.20 g/mol
LogP17.02
Rot. Bonds6

About CID 155428052

CID 155428052 (PubChem CID 155428052) has the molecular formula C62H46N2S2 and a molecular weight of 883.20 g/mol.

Molecular Properties

Compound NameCID 155428052
PubChem CID155428052
Molecular FormulaC62H46N2S2
Molecular Weight883.20 g/mol
Exact Mass882.31
IUPAC Name—
SMILESCc1cccc(N(c2cccc(C)c2)c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc(C)c4)c4cccc(C)c4)sc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C62H46N2S2/c1-39-17-13-21-43(33-39)63(44-22-14-18-40(2)34-44)57-37-55-59(65-57)62(53-31-11-7-27-49(53)50-28-8-12-32-54(50)62)56-38-58(64(45-23-15-19-41(3)35-45)46-24-16-20-42(4)36-46)66-60(56)61(55)51-29-9-5-25-47(51)48-26-6-10-30-52(48)61/h5-38H,1-4H3
InChIKeyIZOKPSMQHQLLBX-UHFFFAOYSA-N
XLogP17.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.20
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 155427889
CID 155427889
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
7-N',17-N'-bis(3-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine;7-N',17-N'-bis(4-methylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 158059948
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
CID 155428075
CID 155428075
CID 155655459
CID 155655459
3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline
CID 134352391
N-(3-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-17'-amine
CID 137494910
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186

Frequently Asked Questions

What is the IUPAC name of CID 155428052?
The IUPAC name of CID 155428052 (CID 155428052) is not available.
What is the SMILES notation for CID 155428052?
The canonical SMILES for CID 155428052 is Cc1cccc(N(c2cccc(C)c2)c2cc3c(s2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4cccc(C)c4)c4cccc(C)c4)sc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of CID 155428052?
The InChIKey is IZOKPSMQHQLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2S2/c1-39-17-13-21-43(33-39)63(44-22-14-18-40(2)34-44)57-37-55-59(65-57)62(53-31-11-7-27-49(53)50-28-8-12-32-54(50)62)56-38-58(64(45-23-15-19-41(3)35-45)46-24-16-20-42(4)36-46)66-60(56)61(55)51-29-9-5-25-47(51)48-26-6-10-30-52(48)61/h5-38H,1-4H3.
What are the key properties of CID 155428052?
CID 155428052 has a molecular weight of 883.20 g/mol, XLogP of 17.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155428052 is sourced from PubChem (CID 155428052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).