N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

C63H49N — CID 146413609

IUPACN-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5C5(C6C=CC=CC6)c6c(cccc64)C4=CC=CCC45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C63H49N/c1-61(2)53-29-13-11-26-49(53)51-40-39-47(41-58(51)61)64(59-34-17-20-42-19-9-10-25-48(42)59)46-37-35-45(36-38-46)62(43-21-5-3-6-22-43)55-31-15-16-32-56(55)63(44-23-7-4-8-24-44)54-30-14-12-27-50(54)52-28-18-33-57(62)60(52)63/h3-23,25-29,31-41,44,54H,24,30H2,1-2H3
InChIKeyRQOZXPZSPRKWBX-UHFFFAOYSA-N
MW820.09 g/mol
LogP15.70
Rot. Bonds6

About N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (PubChem CID 146413609) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
PubChem CID146413609
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC NameN-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5C5(C6C=CC=CC6)c6c(cccc64)C4=CC=CCC45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C63H49N/c1-61(2)53-29-13-11-26-49(53)51-40-39-47(41-58(51)61)64(59-34-17-20-42-19-9-10-25-48(42)59)46-37-35-45(36-38-46)62(43-21-5-3-6-22-43)55-31-15-16-32-56(55)63(44-23-7-4-8-24-44)54-30-14-12-27-50(54)52-28-18-33-57(62)60(52)63/h3-23,25-29,31-41,44,54H,24,30H2,1-2H3
InChIKeyRQOZXPZSPRKWBX-UHFFFAOYSA-N
XLogP15.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.09
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]fluoren-2-amine
CID 169292946
N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-adamantyl]phenyl]fluoren-2-amine
CID 168744605
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
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
9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140995
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 170243434
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118134285
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157391527
9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-bromophenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-bromophenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 158231660

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (CID 146413609) is N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5C5(C6C=CC=CC6)c6c(cccc64)C4=CC=CCC45)cc3)c3cccc4ccccc34)cc21.
What is the InChIKey of N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The InChIKey is RQOZXPZSPRKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N/c1-61(2)53-29-13-11-26-49(53)51-40-39-47(41-58(51)61)64(59-34-17-20-42-19-9-10-25-48(42)59)46-37-35-45(36-38-46)62(43-21-5-3-6-22-43)55-31-15-16-32-56(55)63(44-23-7-4-8-24-44)54-30-14-12-27-50(54)52-28-18-33-57(62)60(52)63/h3-23,25-29,31-41,44,54H,24,30H2,1-2H3.
What are the key properties of N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine has a molecular weight of 820.09 g/mol, XLogP of 15.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclohexa-2,4-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-4,6,8(20),9,11,14,16,18-octaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 146413609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).