N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine

C48H37N — CID 170139827

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc21
InChIInChI=1S/C48H37N/c1-47(2)43-15-9-7-13-39(43)41-25-20-33(28-45(41)47)49(34-21-26-42-40-14-8-10-16-44(40)48(3,4)46(42)29-34)32-19-24-36-31(27-32)18-23-37-35-12-6-5-11-30(35)17-22-38(36)37/h5-29H,1-4H3
InChIKeyMZPAEQOCFIKISU-UHFFFAOYSA-N
MW627.83 g/mol
LogP13.23
Rot. Bonds3

About N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine (PubChem CID 170139827) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
PubChem CID170139827
Molecular FormulaC48H37N
Molecular Weight627.83 g/mol
Exact Mass627.29
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc21
InChIInChI=1S/C48H37N/c1-47(2)43-15-9-7-13-39(43)41-25-20-33(28-45(41)47)49(34-21-26-42-40-14-8-10-16-44(40)48(3,4)46(42)29-34)32-19-24-36-31(27-32)18-23-37-35-12-6-5-11-30(35)17-22-38(36)37/h5-29H,1-4H3
InChIKeyMZPAEQOCFIKISU-UHFFFAOYSA-N
XLogP13.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 513.23
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

N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine
CID 170410631
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]fluoren-2-amine
CID 166956448
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
5-N,18-N-bis(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476605
N-(9,9-dimethylfluoren-2-yl)-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-amine
CID 167087586
16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenanthren-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
CID 118030248
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167184258
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine (CID 170139827) is N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(ccc5c6ccccc6ccc45)c3)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine?
The InChIKey is MZPAEQOCFIKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N/c1-47(2)43-15-9-7-13-39(43)41-25-20-33(28-45(41)47)49(34-21-26-42-40-14-8-10-16-44(40)48(3,4)46(42)29-34)32-19-24-36-31(27-32)18-23-37-35-12-6-5-11-30(35)17-22-38(36)37/h5-29H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine has a molecular weight of 627.83 g/mol, XLogP of 13.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine is sourced from PubChem (CID 170139827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).