13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]

C54H37N3S — CID 147510232

IUPAC13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]
SMILESC1=C(c2ccccc2)C=C(n2c3ccccc3c3ccc4c(c32)Sc2ccccc2C42c3ccccc3N(c3ccccc3)c3ccccc32)NC1c1ccccc1
InChIInChI=1S/C54H37N3S/c1-4-18-36(19-5-1)38-34-46(37-20-6-2-7-21-37)55-51(35-38)57-47-28-14-10-24-40(47)41-32-33-45-53(52(41)57)58-50-31-17-13-27-44(50)54(45)42-25-11-15-29-48(42)56(39-22-8-3-9-23-39)49-30-16-12-26-43(49)54/h1-35,46,55H
InChIKeyFJDQXQXWFCJDSJ-UHFFFAOYSA-N
MW759.98 g/mol
LogP13.65
Rot. Bonds4

About 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]

13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole] (PubChem CID 147510232) has the molecular formula C54H37N3S and a molecular weight of 759.98 g/mol. Its IUPAC name is 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole].

Molecular Properties

Compound Name13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]
PubChem CID147510232
Molecular FormulaC54H37N3S
Molecular Weight759.98 g/mol
Exact Mass759.27
IUPAC Name13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]
SMILESC1=C(c2ccccc2)C=C(n2c3ccccc3c3ccc4c(c32)Sc2ccccc2C42c3ccccc3N(c3ccccc3)c3ccccc32)NC1c1ccccc1
InChIInChI=1S/C54H37N3S/c1-4-18-36(19-5-1)38-34-46(37-20-6-2-7-21-37)55-51(35-38)57-47-28-14-10-24-40(47)41-32-33-45-53(52(41)57)58-50-31-17-13-27-44(50)54(45)42-25-11-15-29-48(42)56(39-22-8-3-9-23-39)49-30-16-12-26-43(49)54/h1-35,46,55H
InChIKeyFJDQXQXWFCJDSJ-UHFFFAOYSA-N
XLogP13.65
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.98
LogP ≤ 513.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline
CID 134351920
13'-(2,6-diphenyl-4-pyridinyl)-10-(3-methylcyclohexa-1,5-dien-1-yl)spiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]
CID 152846780
13'-(4,6-diphenyl-2-pyridinyl)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'-thiochromeno[2,3-a]carbazole]
CID 134351552
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
9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazole
CID 130180910
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
2'-(2,6-diphenyl-1,2-dihydropyrimidin-4-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]
CID 146519592
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
(3Z)-penta-1,3-diene;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'-thiochromeno[2,3-a]carbazole]-13'-amine
CID 145313985
9-phenyl-2-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698345
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
5'-(3-methylphenyl)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 145314099

Frequently Asked Questions

What is the IUPAC name of 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]?
The IUPAC name of 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole] (CID 147510232) is 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole].
What is the SMILES notation for 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]?
The canonical SMILES for 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole] is C1=C(c2ccccc2)C=C(n2c3ccccc3c3ccc4c(c32)Sc2ccccc2C42c3ccccc3N(c3ccccc3)c3ccccc32)NC1c1ccccc1.
What is the InChIKey of 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]?
The InChIKey is FJDQXQXWFCJDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3S/c1-4-18-36(19-5-1)38-34-46(37-20-6-2-7-21-37)55-51(35-38)57-47-28-14-10-24-40(47)41-32-33-45-53(52(41)57)58-50-31-17-13-27-44(50)54(45)42-25-11-15-29-48(42)56(39-22-8-3-9-23-39)49-30-16-12-26-43(49)54/h1-35,46,55H.
What are the key properties of 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]?
13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole] has a molecular weight of 759.98 g/mol, XLogP of 13.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole] is sourced from PubChem (CID 147510232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).