9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine

C183H128N16S — CID 160675108

IUPAC9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nccnc32)c2ccc(N(c3ccccc3)c3ccccc3)cc21.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc2c2nccnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5Sc5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc2c2nccnc32)cc1
InChIInChI=1S/C64H44N6.C61H45N5.C58H39N5S/c1-7-19-45(20-8-1)46-31-35-55-57(41-46)58-42-52(32-36-56(58)64-63(55)65-39-40-66-64)70-59-37-33-53(67(47-21-9-2-10-22-47)48-23-11-3-12-24-48)43-61(59)69(51-29-17-6-18-30-51)62-44-54(34-38-60(62)70)68(49-25-13-4-14-26-49)50-27-15-5-16-28-50;1-61(2)55-40-49(64(44-20-10-4-11-21-44)45-22-12-5-13-23-45)30-34-57(55)66(58-35-31-50(41-56(58)61)65(46-24-14-6-15-25-46)47-26-16-7-17-27-47)48-29-33-52-54(39-48)53-38-43(42-18-8-3-9-19-42)28-32-51(53)59-60(52)63-37-36-62-59;1-6-16-40(17-7-1)41-26-30-49-51(36-41)52-37-46(27-31-50(52)58-57(49)59-34-35-60-58)63-53-32-28-47(61(42-18-8-2-9-19-42)43-20-10-3-11-21-43)38-55(53)64-56-39-48(29-33-54(56)63)62(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h1-44H;3-41H,1-2H3;1-39H
InChIKeyRNKVDBODCYGEDD-UHFFFAOYSA-N
MW2583.22 g/mol
LogP50.92
Rot. Bonds25

About 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine

9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine (PubChem CID 160675108) has the molecular formula C183H128N16S and a molecular weight of 2583.22 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine
PubChem CID160675108
Molecular FormulaC183H128N16S
Molecular Weight2583.22 g/mol
Exact Mass2581.02
IUPAC Name9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nccnc32)c2ccc(N(c3ccccc3)c3ccccc3)cc21.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc2c2nccnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5Sc5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc2c2nccnc32)cc1
InChIInChI=1S/C64H44N6.C61H45N5.C58H39N5S/c1-7-19-45(20-8-1)46-31-35-55-57(41-46)58-42-52(32-36-56(58)64-63(55)65-39-40-66-64)70-59-37-33-53(67(47-21-9-2-10-22-47)48-23-11-3-12-24-48)43-61(59)69(51-29-17-6-18-30-51)62-44-54(34-38-60(62)70)68(49-25-13-4-14-26-49)50-27-15-5-16-28-50;1-61(2)55-40-49(64(44-20-10-4-11-21-44)45-22-12-5-13-23-45)30-34-57(55)66(58-35-31-50(41-56(58)61)65(46-24-14-6-15-25-46)47-26-16-7-17-27-47)48-29-33-52-54(39-48)53-38-43(42-18-8-3-9-19-42)28-32-51(53)59-60(52)63-37-36-62-59;1-6-16-40(17-7-1)41-26-30-49-51(36-41)52-37-46(27-31-50(52)58-57(49)59-34-35-60-58)63-53-32-28-47(61(42-18-8-2-9-19-42)43-20-10-3-11-21-43)38-55(53)64-56-39-48(29-33-54(56)63)62(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h1-44H;3-41H,1-2H3;1-39H
InChIKeyRNKVDBODCYGEDD-UHFFFAOYSA-N
XLogP50.92
TPSA109.74 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002583.22
LogP ≤ 550.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine with MolForge

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Related Compounds

7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
CID 129089141
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536
N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine
CID 129089173
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
CID 144768210
3-(9,9-dimethyl-10-phenylacridin-3-yl)-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 121259013
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
9,9-dimethyl-10-phenyl-N,N-bis(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-2-amine
CID 123572425

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine?
The IUPAC name of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine (CID 160675108) is 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine?
The canonical SMILES for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nccnc32)c2ccc(N(c3ccccc3)c3ccccc3)cc21.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc2c2nccnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5Sc5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc2c2nccnc32)cc1.
What is the InChIKey of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine?
The InChIKey is RNKVDBODCYGEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N6.C61H45N5.C58H39N5S/c1-7-19-45(20-8-1)46-31-35-55-57(41-46)58-42-52(32-36-56(58)64-63(55)65-39-40-66-64)70-59-37-33-53(67(47-21-9-2-10-22-47)48-23-11-3-12-24-48)43-61(59)69(51-29-17-6-18-30-51)62-44-54(34-38-60(62)70)68(49-25-13-4-14-26-49)50-27-15-5-16-28-50;1-61(2)55-40-49(64(44-20-10-4-11-21-44)45-22-12-5-13-23-45)30-34-57(55)66(58-35-31-50(41-56(58)61)65(46-24-14-6-15-25-46)47-26-16-7-17-27-47)48-29-33-52-54(39-48)53-38-43(42-18-8-3-9-19-42)28-32-51(53)59-60(52)63-37-36-62-59;1-6-16-40(17-7-1)41-26-30-49-51(36-41)52-37-46(27-31-50(52)58-57(49)59-34-35-60-58)63-53-32-28-47(61(42-18-8-2-9-19-42)43-20-10-3-11-21-43)38-55(53)64-56-39-48(29-33-54(56)63)62(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h1-44H;3-41H,1-2H3;1-39H.
What are the key properties of 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine?
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine has a molecular weight of 2583.22 g/mol, XLogP of 50.92, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine is sourced from PubChem (CID 160675108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).