(2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine

C61H45N — CID 174122253

IUPAC(2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine
SMILESC=CC=C1/C(=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(N(c3ccc4ccccc4c3)c3c(-c4ccccc4)c4c(c5ccccc35)C(C)(C)c3ccccc3-4)cc12
InChIInChI=1S/C61H45N/c1-5-20-44-45-25-14-18-31-53(45)61(51(44)6-2)54-32-19-15-26-46(54)47-36-35-43(38-55(47)61)62(42-34-33-39-21-10-11-24-41(39)37-42)59-49-28-13-12-27-48(49)58-57(56(59)40-22-8-7-9-23-40)50-29-16-17-30-52(50)60(58,3)4/h5-38H,1H2,2-4H3/b44-20?,51-6+
InChIKeyDYOMXBYUWRWJBM-COTSIFSXSA-N
MW792.04 g/mol
LogP16.28
Rot. Bonds5

About (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine

(2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine (PubChem CID 174122253) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine.

Molecular Properties

Compound Name(2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine
PubChem CID174122253
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC Name(2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine
SMILESC=CC=C1/C(=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(N(c3ccc4ccccc4c3)c3c(-c4ccccc4)c4c(c5ccccc35)C(C)(C)c3ccccc3-4)cc12
InChIInChI=1S/C61H45N/c1-5-20-44-45-25-14-18-31-53(45)61(51(44)6-2)54-32-19-15-26-46(54)47-36-35-43(38-55(47)61)62(42-34-33-39-21-10-11-24-41(39)37-42)59-49-28-13-12-27-48(49)58-57(56(59)40-22-8-7-9-23-40)50-29-16-17-30-52(50)60(58,3)4/h5-38H,1H2,2-4H3/b44-20?,51-6+
InChIKeyDYOMXBYUWRWJBM-COTSIFSXSA-N
XLogP16.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-N-naphthalen-2-yl-6-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280399
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,6-diphenylbenzo[a]fluoren-5-amine
CID 169280376
N-phenyl-N-(6,11,11-triphenylbenzo[a]fluoren-5-yl)-9,9'-spirobi[fluorene]-2-amine
CID 169280693
11,11-dimethyl-6-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280476
N-naphthalen-2-yl-6-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 169280862
N-[4-[11,11-dimethyl-6-(4-phenylphenyl)benzo[a]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169280587
6-phenyl-N,N-bis(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-5-amine
CID 169280630
N-(9,9-dimethylfluoren-2-yl)-10-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]-N-phenylanthracen-9-amine
CID 59221508
10-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N-(4-methylphenyl)-N-naphthalen-2-ylanthracen-9-amine
CID 59221590
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-5-phenylbenzo[a]fluoren-9-amine
CID 170372746
10-N,10-N-bis[3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-N-naphthalen-2-yl-9-N-phenylanthracene-9,10-diamine
CID 138667147
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812085

Frequently Asked Questions

What is the IUPAC name of (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine?
The IUPAC name of (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine (CID 174122253) is (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine.
What is the SMILES notation for (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine?
The canonical SMILES for (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine is C=CC=C1/C(=C\C)C2(c3ccccc31)c1ccccc1-c1ccc(N(c3ccc4ccccc4c3)c3c(-c4ccccc4)c4c(c5ccccc35)C(C)(C)c3ccccc3-4)cc12.
What is the InChIKey of (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine?
The InChIKey is DYOMXBYUWRWJBM-COTSIFSXSA-N. The full InChI is InChI=1S/C61H45N/c1-5-20-44-45-25-14-18-31-53(45)61(51(44)6-2)54-32-19-15-26-46(54)47-36-35-43(38-55(47)61)62(42-34-33-39-21-10-11-24-41(39)37-42)59-49-28-13-12-27-48(49)58-57(56(59)40-22-8-7-9-23-40)50-29-16-17-30-52(50)60(58,3)4/h5-38H,1H2,2-4H3/b44-20?,51-6+.
What are the key properties of (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine?
(2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine has a molecular weight of 792.04 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'E)-N-(11,11-dimethyl-6-phenylbenzo[a]fluoren-5-yl)-2'-ethylidene-N-naphthalen-2-yl-3'-prop-2-enylidenespiro[fluorene-9,1'-indene]-2-amine is sourced from PubChem (CID 174122253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).