9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine

C63H58N2S2 — CID 144809799

IUPAC9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine
SMILESCS(C)(C)C1(S(C)(C)C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c3c(c2-c2c1cc(N(c1ccccc1)c1ccc(-c4ccccc4)cc1)c1ccccc21)CCC=C3
InChIInChI=1S/C63H58N2S2/c1-66(2,3)63(67(4,5)6)57-43-59(64(49-27-15-9-16-28-49)51-39-35-47(36-40-51)45-23-11-7-12-24-45)53-31-19-21-33-55(53)61(57)62-56-34-22-20-32-54(56)60(44-58(62)63)65(50-29-17-10-18-30-50)52-41-37-48(38-42-52)46-25-13-8-14-26-46/h7-21,23-33,35-44H,22,34H2,1-6H3
InChIKeyBSOSQVHHWVPRLJ-UHFFFAOYSA-N
MW907.31 g/mol
LogP17.64
Rot. Bonds10

About 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine

9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine (PubChem CID 144809799) has the molecular formula C63H58N2S2 and a molecular weight of 907.31 g/mol. Its IUPAC name is 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine
PubChem CID144809799
Molecular FormulaC63H58N2S2
Molecular Weight907.31 g/mol
Exact Mass906.40
IUPAC Name9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine
SMILESCS(C)(C)C1(S(C)(C)C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c3c(c2-c2c1cc(N(c1ccccc1)c1ccc(-c4ccccc4)cc1)c1ccccc21)CCC=C3
InChIInChI=1S/C63H58N2S2/c1-66(2,3)63(67(4,5)6)57-43-59(64(49-27-15-9-16-28-49)51-39-35-47(36-40-51)45-23-11-7-12-24-45)53-31-19-21-33-55(53)61(57)62-56-34-22-20-32-54(56)60(44-58(62)63)65(50-29-17-10-18-30-50)52-41-37-48(38-42-52)46-25-13-8-14-26-46/h7-21,23-33,35-44H,22,34H2,1-6H3
InChIKeyBSOSQVHHWVPRLJ-UHFFFAOYSA-N
XLogP17.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.31
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine with MolForge

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Related Compounds

12,12-dimethyl-N,N,15-tris(4-phenylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 118428464
N-(4-tert-butylphenyl)-8-naphthalen-2-yl-N-phenyl-9,10-dihydrobenzo[c]phenanthren-5-amine
CID 89086165
6-N-(5,6-dihydrophenanthren-9-yl)-12-N-phenanthren-9-yl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 89187245
12-N-cyclohexa-1,3-dien-1-yl-6-N,6-N,12-N-triphenyl-3,4-dihydrochrysene-6,12-diamine
CID 89065106
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
11-N-(5,6-dihydrophenanthren-9-yl)-8,8,14,14,22,22-hexamethyl-5-N-phenanthren-9-yl-5-N,11-N-diphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 89065373
N-(2-methylphenyl)-N,5,6,8-tetraphenyl-11,12-dihydrotriphenylen-2-amine
CID 89083504
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-3-amine
CID 142406198
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494931
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran-8-amine
CID 167144302
N,N-diphenyl-3,4-dihydrochrysen-6-amine
CID 89056693

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine?
The IUPAC name of 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine (CID 144809799) is 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine is CS(C)(C)C1(S(C)(C)C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)c3c(c2-c2c1cc(N(c1ccccc1)c1ccc(-c4ccccc4)cc1)c1ccccc21)CCC=C3.
What is the InChIKey of 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine?
The InChIKey is BSOSQVHHWVPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H58N2S2/c1-66(2,3)63(67(4,5)6)57-43-59(64(49-27-15-9-16-28-49)51-39-35-47(36-40-51)45-23-11-7-12-24-45)53-31-19-21-33-55(53)61(57)62-56-34-22-20-32-54(56)60(44-58(62)63)65(50-29-17-10-18-30-50)52-41-37-48(38-42-52)46-25-13-8-14-26-46/h7-21,23-33,35-44H,22,34H2,1-6H3.
What are the key properties of 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine?
9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine has a molecular weight of 907.31 g/mol, XLogP of 17.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12,12-bis(trimethyl-λ4-sulfanyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17-nonaene-9,15-diamine is sourced from PubChem (CID 144809799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).