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

C52H37N5 — CID 163413841

IUPAC3-[(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
SMILESC/C=C\c1c(N)n(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5C5=CC=CCC54)c4ccncc4-6)cc3)cc2)c2cccnc12
InChIInChI=1S/C52H37N5/c1-2-10-39-50-48(17-9-27-55-50)57(51(39)53)35-24-20-33(21-25-35)32-18-22-34(23-19-32)56-47-16-8-5-13-38(47)41-29-40-42-31-54-28-26-45(42)52(46(40)30-49(41)56)43-14-6-3-11-36(43)37-12-4-7-15-44(37)52/h2-14,16-31,44H,15,53H2,1H3/b10-2-
InChIKeyACSREAKRHJSGRL-SGAXSIHGSA-N
MW731.90 g/mol
LogP12.09
Rot. Bonds4

About 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

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 (PubChem CID 163413841) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID163413841
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name3-[(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
SMILESC/C=C\c1c(N)n(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5C5=CC=CCC54)c4ccncc4-6)cc3)cc2)c2cccnc12
InChIInChI=1S/C52H37N5/c1-2-10-39-50-48(17-9-27-55-50)57(51(39)53)35-24-20-33(21-25-35)32-18-22-34(23-19-32)56-47-16-8-5-13-38(47)41-29-40-42-31-54-28-26-45(42)52(46(40)30-49(41)56)43-14-6-3-11-36(43)37-12-4-7-15-44(37)52/h2-14,16-31,44H,15,53H2,1H3/b10-2-
InChIKeyACSREAKRHJSGRL-SGAXSIHGSA-N
XLogP12.09
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 512.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 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
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
1-[4-[4-(14,14-diphenyl-2,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-10-yl)phenyl]phenyl]-3,4-bis[(Z)-prop-1-enyl]pyrrole-2,5-diamine
CID 163984187
10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 149202346
20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
7,7-dimethyl-5-[4-[4-(1,6-naphthyridin-4-yl)phenyl]sulfonylphenyl]indeno[2,1-b]carbazole
CID 135252723
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
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
5'-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylideneindol-1-yl]phenyl]phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156642987

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\c1c(N)n(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5C5=CC=CCC54)c4ccncc4-6)cc3)cc2)c2cccnc12.
What is the InChIKey of 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?
The InChIKey is ACSREAKRHJSGRL-SGAXSIHGSA-N. The full InChI is InChI=1S/C52H37N5/c1-2-10-39-50-48(17-9-27-55-50)57(51(39)53)35-24-20-33(21-25-35)32-18-22-34(23-19-32)56-47-16-8-5-13-38(47)41-29-40-42-31-54-28-26-45(42)52(46(40)30-49(41)56)43-14-6-3-11-36(43)37-12-4-7-15-44(37)52/h2-14,16-31,44H,15,53H2,1H3/b10-2-.
What are the key properties of 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?
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 has a molecular weight of 731.90 g/mol, XLogP of 12.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163413841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).