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

C55H37N3S — CID 134351920

IUPACN,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C55H37N3S/c1-4-18-38(19-5-1)56(39-20-6-2-7-21-39)41-32-34-42(35-33-41)58-49-28-14-10-24-43(49)44-36-37-48-54(53(44)58)59-52-31-17-13-27-47(52)55(48)45-25-11-15-29-50(45)57(40-22-8-3-9-23-40)51-30-16-12-26-46(51)55/h1-37H
InChIKeyLPPMDYGNRGXSPC-UHFFFAOYSA-N
MW771.99 g/mol
LogP14.88
Rot. Bonds5

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

N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline (PubChem CID 134351920) has the molecular formula C55H37N3S and a molecular weight of 771.99 g/mol. Its IUPAC name is N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline
PubChem CID134351920
Molecular FormulaC55H37N3S
Molecular Weight771.99 g/mol
Exact Mass771.27
IUPAC NameN,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C55H37N3S/c1-4-18-38(19-5-1)56(39-20-6-2-7-21-39)41-32-34-42(35-33-41)58-49-28-14-10-24-43(49)44-36-37-48-54(53(44)58)59-52-31-17-13-27-47(52)55(48)45-25-11-15-29-50(45)57(40-22-8-3-9-23-40)51-30-16-12-26-46(51)55/h1-37H
InChIKeyLPPMDYGNRGXSPC-UHFFFAOYSA-N
XLogP14.88
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.99
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
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
13'-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]
CID 147510232
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
N,N-diphenyl-4-(6-phenylindolo[3,2-b][1,4]benzothiazin-5-yl)aniline
CID 146360162
N,N-diphenyl-4-[(13R)-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'-yl]aniline
CID 145314088
CID 134551739
CID 134551739
13'-(9-phenylcarbazol-3-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-13,7'-chromeno[2,3-a]carbazole];10'-(9-phenylcarbazol-3-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-13,21'-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];13'-(9-phenylcarbazol-3-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-13,7'-thiochromeno[2,3-a]carbazole]
CID 158881548
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
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
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline (CID 134351920) is N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline is c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5c(c43)Sc3ccccc3C53c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline?
The InChIKey is LPPMDYGNRGXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3S/c1-4-18-38(19-5-1)56(39-20-6-2-7-21-39)41-32-34-42(35-33-41)58-49-28-14-10-24-43(49)44-36-37-48-54(53(44)58)59-52-31-17-13-27-47(52)55(48)45-25-11-15-29-50(45)57(40-22-8-3-9-23-40)51-30-16-12-26-46(51)55/h1-37H.
What are the key properties of N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline?
N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline has a molecular weight of 771.99 g/mol, XLogP of 14.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(10-phenylspiro[acridine-9,7'-thiochromeno[2,3-a]carbazole]-13'-yl)aniline is sourced from PubChem (CID 134351920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).