N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine

C63H55N — CID 153471186

IUPACN-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine
SMILESC=CC1=C(C=C)C(C/C=C/N(C2=CCC(c3ccc4c(c3)=C3C=CC=CC3CC=4)C=C2)C2=CC3=C(CC2)c2ccccc2C3(c2ccccc2)c2ccccc2)C(=C)C2=C1C=CCC2
InChIInChI=1S/C63H55N/c1-4-52-53(5-2)57-26-15-14-24-55(57)43(3)54(52)28-18-40-64(50-36-34-44(35-37-50)47-33-32-46-31-30-45-19-12-13-25-56(45)60(46)41-47)51-38-39-59-58-27-16-17-29-61(58)63(62(59)42-51,48-20-8-6-9-21-48)49-22-10-7-11-23-49/h4-13,15-23,25-27,29,31-34,36-37,40-42,44-45,54H,1-3,14,24,28,30,35,38-39H2/b40-18+
InChIKeyZSCCEDWVPXMIHY-VWRJOHBLSA-N
MW826.14 g/mol
LogP13.88
Rot. Bonds10

About N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine

N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine (PubChem CID 153471186) has the molecular formula C63H55N and a molecular weight of 826.14 g/mol. Its IUPAC name is N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine
PubChem CID153471186
Molecular FormulaC63H55N
Molecular Weight826.14 g/mol
Exact Mass825.43
IUPAC NameN-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine
SMILESC=CC1=C(C=C)C(C/C=C/N(C2=CCC(c3ccc4c(c3)=C3C=CC=CC3CC=4)C=C2)C2=CC3=C(CC2)c2ccccc2C3(c2ccccc2)c2ccccc2)C(=C)C2=C1C=CCC2
InChIInChI=1S/C63H55N/c1-4-52-53(5-2)57-26-15-14-24-55(57)43(3)54(52)28-18-40-64(50-36-34-44(35-37-50)47-33-32-46-31-30-45-19-12-13-25-56(45)60(46)41-47)51-38-39-59-58-27-16-17-29-61(58)63(62(59)42-51,48-20-8-6-9-21-48)49-22-10-7-11-23-49/h4-13,15-23,25-27,29,31-34,36-37,40-42,44-45,54H,1-3,14,24,28,30,35,38-39H2/b40-18+
InChIKeyZSCCEDWVPXMIHY-VWRJOHBLSA-N
XLogP13.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.14
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine with MolForge

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Related Compounds

N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
CID 166924257
ethane;(4-methylcyclohexa-2,4-dien-1-yl)benzene;2'-[4-(4-methylphenyl)phenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene];6-methyl-1,2,11,12-tetrahydrotriphenylene;propane
CID 145204090
CID 89104631
CID 89104631
N-(2-phenylcyclohexa-1,3-dien-1-yl)-N-[4-(2-phenylphenyl)cyclohexa-1,5-dien-1-yl]spiro[3,4-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138581751
4-dibenzothiophen-4-yl-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-1-yl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 144995074
N'-(cyclohexa-2,4-dien-1-ylmethyl)-2-(8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthren-4-yl)-N-methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 142561172
2-(6-methylidene-9,9-diphenyl-5H-fluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
CID 170227990
1-(1,2,3,8a-tetrahydronaphthalen-2-yl)-2-spiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),6,11,13,15,17,19,21-decaene]-2-yl-2,3,4,5-tetrahydro-1-benzazepine
CID 126712520
N-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-3,4-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 178165565
9-cyclohexa-1,5-dien-1-yl-9-phenylfluorene;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-ylspiro[cyclohexane-1,9'-fluorene]-3'-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-2-ylspiro[cyclohexane-1,9'-fluorene]-4'-amine;N-(1-spiro[cyclohexane-1,1'-indene]-2'-ylbut-3-enyl)-8a,9-dihydrophenanthren-2-amine
CID 159380043
7'-[(E)-2-[7-(dinaphthalen-2-ylamino)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl]ethenyl]-N,N-dinaphthalen-2-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 89335584
2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline
CID 142480920

Frequently Asked Questions

What is the IUPAC name of N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine?
The IUPAC name of N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine (CID 153471186) is N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine.
What is the SMILES notation for N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine?
The canonical SMILES for N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine is C=CC1=C(C=C)C(C/C=C/N(C2=CCC(c3ccc4c(c3)=C3C=CC=CC3CC=4)C=C2)C2=CC3=C(CC2)c2ccccc2C3(c2ccccc2)c2ccccc2)C(=C)C2=C1C=CCC2.
What is the InChIKey of N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine?
The InChIKey is ZSCCEDWVPXMIHY-VWRJOHBLSA-N. The full InChI is InChI=1S/C63H55N/c1-4-52-53(5-2)57-26-15-14-24-55(57)43(3)54(52)28-18-40-64(50-36-34-44(35-37-50)47-33-32-46-31-30-45-19-12-13-25-56(45)60(46)41-47)51-38-39-59-58-27-16-17-29-61(58)63(62(59)42-51,48-20-8-6-9-21-48)49-22-10-7-11-23-49/h4-13,15-23,25-27,29,31-34,36-37,40-42,44-45,54H,1-3,14,24,28,30,35,38-39H2/b40-18+.
What are the key properties of N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine?
N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine has a molecular weight of 826.14 g/mol, XLogP of 13.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8a,9-dihydrophenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-N-[(E)-3-[3,4-bis(ethenyl)-1-methylidene-7,8-dihydro-2H-naphthalen-2-yl]prop-1-enyl]-9,9-diphenyl-3,4-dihydrofluoren-2-amine is sourced from PubChem (CID 153471186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).