3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]

C66H41N3O — CID 118104042

IUPAC3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6c5ccc5oc7ccccc7c65)ccc43)c2)cc1
InChIInChI=1S/C66H41N3O/c1-4-18-42(19-5-1)46-39-56(43-20-6-2-7-21-43)67-63(41-46)69-57-29-15-11-24-48(57)51-38-44(33-36-58(51)69)45-32-34-54-60(40-45)68(47-22-8-3-9-23-47)59-30-16-14-28-53(59)66(54)52-27-13-10-25-49(52)64-55(66)35-37-62-65(64)50-26-12-17-31-61(50)70-62/h1-41H
InChIKeySJIUBVHEEAFDHL-UHFFFAOYSA-N
MW892.07 g/mol
LogP17.23
Rot. Bonds5

About 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]

3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] (PubChem CID 118104042) has the molecular formula C66H41N3O and a molecular weight of 892.07 g/mol. Its IUPAC name is 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine].

Molecular Properties

Compound Name3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
PubChem CID118104042
Molecular FormulaC66H41N3O
Molecular Weight892.07 g/mol
Exact Mass891.32
IUPAC Name3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6c5ccc5oc7ccccc7c65)ccc43)c2)cc1
InChIInChI=1S/C66H41N3O/c1-4-18-42(19-5-1)46-39-56(43-20-6-2-7-21-43)67-63(41-46)69-57-29-15-11-24-48(57)51-38-44(33-36-58(51)69)45-32-34-54-60(40-45)68(47-22-8-3-9-23-47)59-30-16-14-28-53(59)66(54)52-27-13-10-25-49(52)64-55(66)35-37-62-65(64)50-26-12-17-31-61(50)70-62/h1-41H
InChIKeySJIUBVHEEAFDHL-UHFFFAOYSA-N
XLogP17.23
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.07
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] with MolForge

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Related Compounds

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1'-ethenyl-2'-ethyl-10-(3-phenylphenyl)spiro[acridine-9,6'-indeno[1,2-e][1]benzofuran];ethane
CID 144605525
10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 157249791
3'-dibenzofuran-2-yl-5'-(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-13,9'-fluorene]
CID 142481462
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
10-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 118231939
10-phenyl-3-[4-[6-phenyl-2-[4-[8-[2-[4-phenyl-6-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]pyrimidin-2-yl]-4-pyridinyl]dibenzofuran-4-yl]phenyl]pyrimidin-4-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 167177382
2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118508812
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
CID 145360960
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,9'-fluorene];3-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];4'-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]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'-fluorene];4'-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]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'-fluorene];10-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 160944631
9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 169014201
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709

Frequently Asked Questions

What is the IUPAC name of 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
The IUPAC name of 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] (CID 118104042) is 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine].
What is the SMILES notation for 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
The canonical SMILES for 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6c5ccc5oc7ccccc7c65)ccc43)c2)cc1.
What is the InChIKey of 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
The InChIKey is SJIUBVHEEAFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O/c1-4-18-42(19-5-1)46-39-56(43-20-6-2-7-21-43)67-63(41-46)69-57-29-15-11-24-48(57)51-38-44(33-36-58(51)69)45-32-34-54-60(40-45)68(47-22-8-3-9-23-47)59-30-16-14-28-53(59)66(54)52-27-13-10-25-49(52)64-55(66)35-37-62-65(64)50-26-12-17-31-61(50)70-62/h1-41H.
What are the key properties of 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]?
3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] has a molecular weight of 892.07 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-10'-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine] is sourced from PubChem (CID 118104042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).