9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine

C63H43N — CID 59282335

IUPAC9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C63H43N/c1-63(2)60-38-47(59-37-48-36-58(46-24-23-40-13-3-6-16-43(40)33-46)52-19-9-11-21-56(52)62(48)57-22-12-10-20-53(57)59)27-31-54(60)55-32-30-51(39-61(55)63)64(49-28-25-41-14-4-7-17-44(41)34-49)50-29-26-42-15-5-8-18-45(42)35-50/h3-39H,1-2H3
InChIKeyZHWXBLZQAVEICG-UHFFFAOYSA-N
MW814.04 g/mol
LogP17.72
Rot. Bonds5

About 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine

9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine (PubChem CID 59282335) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine
PubChem CID59282335
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC Name9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C63H43N/c1-63(2)60-38-47(59-37-48-36-58(46-24-23-40-13-3-6-16-43(40)33-46)52-19-9-11-21-56(52)62(48)57-22-12-10-20-53(57)59)27-31-54(60)55-32-30-51(39-61(55)63)64(49-28-25-41-14-4-7-17-44(41)34-49)50-29-26-42-15-5-8-18-45(42)35-50/h3-39H,1-2H3
InChIKeyZHWXBLZQAVEICG-UHFFFAOYSA-N
XLogP17.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-N,N-dinaphthalen-2-ylbenzo[c]phenanthren-5-amine
CID 59282237
9,9-dimethyl-N-naphthalen-1-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)-N-phenylfluoren-2-amine
CID 59282384
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N,N-bis(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-ylfluoren-2-amine
CID 159222456
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
9,9-dimethyl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N,N-diphenylfluoren-2-amine
CID 59282514
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 58050464
5-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569070
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 134464839
7-[5-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]benzo[c]phenanthren-8-yl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-tert-butylphenyl)-6-[5-[6-(N-(4-tert-butylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-6-[5-[6-(N-(4-methylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-6-[5-[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]naphthalen-2-amine
CID 159226758
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine (CID 59282335) is 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine is CC1(C)c2cc(-c3cc4cc(-c5ccc6ccccc6c5)c5ccccc5c4c4ccccc34)ccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine?
The InChIKey is ZHWXBLZQAVEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-63(2)60-38-47(59-37-48-36-58(46-24-23-40-13-3-6-16-43(40)33-46)52-19-9-11-21-56(52)62(48)57-22-12-10-20-53(57)59)27-31-54(60)55-32-30-51(39-61(55)63)64(49-28-25-41-14-4-7-17-44(41)34-49)50-29-26-42-15-5-8-18-45(42)35-50/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine?
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine has a molecular weight of 814.04 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)fluoren-2-amine is sourced from PubChem (CID 59282335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).