14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]

C52H37N5 — CID 163790824

IUPAC14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]
SMILESC1=CCC2C(=C1)c1ccccc1C21c2ccncc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(N6C7=C(C=CCN7)C7C=NC=CC76)cc5)cc4)c3cc21
InChIInChI=1S/C52H37N5/c1-4-12-44-36(8-1)37-9-2-5-13-45(37)52(44)46-23-26-53-30-42(46)40-28-41-38-10-3-6-14-48(38)56(50(41)29-47(40)52)34-19-15-32(16-20-34)33-17-21-35(22-18-33)57-49-24-27-54-31-43(49)39-11-7-25-55-51(39)57/h1-12,14-24,26-31,43,45,49,55H,13,25H2
InChIKeyMWOOSHWMDOZFHR-UHFFFAOYSA-N
MW731.90 g/mol
LogP10.91
Rot. Bonds3

About 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]

14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene] (PubChem CID 163790824) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene].

Molecular Properties

Compound Name14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]
PubChem CID163790824
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]
SMILESC1=CCC2C(=C1)c1ccccc1C21c2ccncc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(N6C7=C(C=CCN7)C7C=NC=CC76)cc5)cc4)c3cc21
InChIInChI=1S/C52H37N5/c1-4-12-44-36(8-1)37-9-2-5-13-45(37)52(44)46-23-26-53-30-42(46)40-28-41-38-10-3-6-14-48(38)56(50(41)29-47(40)52)34-19-15-32(16-20-34)33-17-21-35(22-18-33)57-49-24-27-54-31-43(49)39-11-7-25-55-51(39)57/h1-12,14-24,26-31,43,45,49,55H,13,25H2
InChIKeyMWOOSHWMDOZFHR-UHFFFAOYSA-N
XLogP10.91
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 510.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene] with MolForge

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Related Compounds

3,4-bis[(Z)-prop-1-enyl]-1-[4-(4-spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]-14'-ylphenyl)phenyl]pyrrole-2,5-diamine
CID 163763152
3-[(Z)-prop-1-enyl]-1-[4-(4-spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]-14'-ylphenyl)phenyl]pyrrolo[3,2-b]pyridin-2-amine
CID 163413841
9-[4-[6-[6-[4-(4a,9b-dihydropyrido[4,3-b]indol-5-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 70836672
22-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 118362888
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
5'-(4-dibenzofuran-2-ylphenyl)spiro[4a,9a-dihydrothioxanthene-9,7'-indeno[2,1-b]carbazole]
CID 138547959
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
2-[4-(14,14-dimethyl-7,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]xanthen-9-one
CID 146186205
6,8-bis(4-carbazol-9-ylphenyl)-9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-cyclohexa-2,4-dien-1-yl-4a,9a-dihydrocarbazole
CID 88855242
7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole
CID 135252723
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844

Frequently Asked Questions

What is the IUPAC name of 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]?
The IUPAC name of 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene] (CID 163790824) is 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene].
What is the SMILES notation for 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]?
The canonical SMILES for 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene] is C1=CCC2C(=C1)c1ccccc1C21c2ccncc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(N6C7=C(C=CCN7)C7C=NC=CC76)cc5)cc4)c3cc21.
What is the InChIKey of 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]?
The InChIKey is MWOOSHWMDOZFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5/c1-4-12-44-36(8-1)37-9-2-5-13-45(37)52(44)46-23-26-53-30-42(46)40-28-41-38-10-3-6-14-48(38)56(50(41)29-47(40)52)34-19-15-32(16-20-34)33-17-21-35(22-18-33)57-49-24-27-54-31-43(49)39-11-7-25-55-51(39)57/h1-12,14-24,26-31,43,45,49,55H,13,25H2.
What are the key properties of 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene]?
14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene] has a molecular weight of 731.90 g/mol, XLogP of 10.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14'-[4-[4-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),3,5,12-tetraen-8-yl)phenyl]phenyl]spiro[1,9a-dihydrofluorene-9,10'-6,14-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene] is sourced from PubChem (CID 163790824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).