N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C49H35NO2 — CID 166986678

IUPACN-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)Oc3cccc5cccc(c35)O4)cc21
InChIInChI=1S/C49H35NO2/c1-49(2)41-18-8-6-17-39(41)40-28-27-37(31-42(40)49)50(36-25-22-33(23-26-36)32-12-4-3-5-13-32)43-19-9-7-16-38(43)35-24-29-44-47(30-35)52-46-21-11-15-34-14-10-20-45(51-44)48(34)46/h3-31H,1-2H3
InChIKeyPQAHIWQMVQHHRX-UHFFFAOYSA-N
MW669.82 g/mol
LogP13.85
Rot. Bonds5

About N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166986678) has the molecular formula C49H35NO2 and a molecular weight of 669.82 g/mol. Its IUPAC name is N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID166986678
Molecular FormulaC49H35NO2
Molecular Weight669.82 g/mol
Exact Mass669.27
IUPAC NameN-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)Oc3cccc5cccc(c35)O4)cc21
InChIInChI=1S/C49H35NO2/c1-49(2)41-18-8-6-17-39(41)40-28-27-37(31-42(40)49)50(36-25-22-33(23-26-36)32-12-4-3-5-13-32)43-19-9-7-16-38(43)35-24-29-44-47(30-35)52-46-21-11-15-34-14-10-20-45(51-44)48(34)46/h3-31H,1-2H3
InChIKeyPQAHIWQMVQHHRX-UHFFFAOYSA-N
XLogP13.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.82
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
N-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 147861755
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274910
6-N-(9,9-dimethylfluoren-2-yl)-6-N-phenyl-10-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 168855982
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240505
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
4-N-[3-[2'-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-yl]phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)-1-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
CID 129309143
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
10-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 168855475

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 166986678) is N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c(c3)Oc3cccc5cccc(c35)O4)cc21.
What is the InChIKey of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is PQAHIWQMVQHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO2/c1-49(2)41-18-8-6-17-39(41)40-28-27-37(31-42(40)49)50(36-25-22-33(23-26-36)32-12-4-3-5-13-32)43-19-9-7-16-38(43)35-24-29-44-47(30-35)52-46-21-11-15-34-14-10-20-45(51-44)48(34)46/h3-31H,1-2H3.
What are the key properties of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 669.82 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166986678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).