N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine

C46H37N — CID 178165633

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3ccccc3)-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C46H37N/c1-45(2)40-20-12-10-18-35(40)37-25-24-34(27-42(37)45)47(33-23-22-30-14-8-9-17-32(30)26-33)44-29-43-39(28-38(44)31-15-6-5-7-16-31)36-19-11-13-21-41(36)46(43,3)4/h5-29H,1-4H3
InChIKeyQFHBBWJWLLRHAR-UHFFFAOYSA-N
MW603.81 g/mol
LogP12.59
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine (PubChem CID 178165633) has the molecular formula C46H37N and a molecular weight of 603.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine
PubChem CID178165633
Molecular FormulaC46H37N
Molecular Weight603.81 g/mol
Exact Mass603.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3ccccc3)-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C46H37N/c1-45(2)40-20-12-10-18-35(40)37-25-24-34(27-42(37)45)47(33-23-22-30-14-8-9-17-32(30)26-33)44-29-43-39(28-38(44)31-15-6-5-7-16-31)36-19-11-13-21-41(36)46(43,3)4/h5-29H,1-4H3
InChIKeyQFHBBWJWLLRHAR-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153433790
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-3-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 178165761
2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791686
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321797
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
9,9-dimethyl-N,7-dinaphthalen-2-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321537
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155424
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)fluoren-2-amine
CID 170065730
10,10,12,12-tetramethyl-N-naphthalen-2-yl-5-phenyl-N-(2-phenylphenyl)indeno[2,1-b]fluoren-8-amine
CID 171402161
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 166566031
12,12,20,20-tetramethyl-N-naphthalen-2-yl-N,2,16-triphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaen-9-amine
CID 89024604

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine (CID 178165633) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(cc3-c3ccccc3)-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine?
The InChIKey is QFHBBWJWLLRHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N/c1-45(2)40-20-12-10-18-35(40)37-25-24-34(27-42(37)45)47(33-23-22-30-14-8-9-17-32(30)26-33)44-29-43-39(28-38(44)31-15-6-5-7-16-31)36-19-11-13-21-41(36)46(43,3)4/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine has a molecular weight of 603.81 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-2-yl-3-phenylfluoren-2-amine is sourced from PubChem (CID 178165633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).