N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine

C63H49N — CID 145303031

IUPACN-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine
SMILESCC1(C)C2=CCCC=C2c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5C5(C6=CCCC=C6)c6ccccc6-c6cccc4c65)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C63H49N/c1-61(2)53-32-13-11-29-49(53)51-39-38-47(41-58(51)61)64(59-37-17-21-42-20-9-10-28-48(42)59)46-27-18-26-45(40-46)62(43-22-5-3-6-23-43)55-34-15-16-35-56(55)63(44-24-7-4-8-25-44)54-33-14-12-30-50(54)52-31-19-36-57(62)60(52)63/h3,5-7,9-10,12,14-41H,4,8,11,13H2,1-2H3
InChIKeyVFTMYQOBQYHWEM-UHFFFAOYSA-N
MW820.09 g/mol
LogP15.99
Rot. Bonds6

About N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine

N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine (PubChem CID 145303031) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine
PubChem CID145303031
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC NameN-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine
SMILESCC1(C)C2=CCCC=C2c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5C5(C6=CCCC=C6)c6ccccc6-c6cccc4c65)c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C63H49N/c1-61(2)53-32-13-11-29-49(53)51-39-38-47(41-58(51)61)64(59-37-17-21-42-20-9-10-28-48(42)59)46-27-18-26-45(40-46)62(43-22-5-3-6-23-43)55-34-15-16-35-56(55)63(44-24-7-4-8-25-44)54-33-14-12-30-50(54)52-31-19-36-57(62)60(52)63/h3,5-7,9-10,12,14-41H,4,8,11,13H2,1-2H3
InChIKeyVFTMYQOBQYHWEM-UHFFFAOYSA-N
XLogP15.99
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 ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-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-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166906518
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9-cyclohexa-1,5-dien-1-yl-N-[4-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 144907545
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
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine
CID 142481057
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168790205
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 129230818
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
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321800

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine?
The IUPAC name of N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine (CID 145303031) is N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine.
What is the SMILES notation for N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine?
The canonical SMILES for N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine is CC1(C)C2=CCCC=C2c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5C5(C6=CCCC=C6)c6ccccc6-c6cccc4c65)c3)c3cccc4ccccc34)cc21.
What is the InChIKey of N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine?
The InChIKey is VFTMYQOBQYHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N/c1-61(2)53-32-13-11-29-49(53)51-39-38-47(41-58(51)61)64(59-37-17-21-42-20-9-10-28-48(42)59)46-27-18-26-45(40-46)62(43-22-5-3-6-23-43)55-34-15-16-35-56(55)63(44-24-7-4-8-25-44)54-33-14-12-30-50(54)52-31-19-36-57(62)60(52)63/h3,5-7,9-10,12,14-41H,4,8,11,13H2,1-2H3.
What are the key properties of N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine?
N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine has a molecular weight of 820.09 g/mol, XLogP of 15.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclohexa-1,5-dien-1-yl-13-phenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-6,7-dihydrofluoren-2-amine is sourced from PubChem (CID 145303031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).