N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine

C51H35N — CID 169277528

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3cc4c5c(cccc5c3)-c3ccccc3-4)cc21
InChIInChI=1S/C51H35N/c1-51(2)48-17-8-7-15-43(48)44-27-26-38(31-49(44)51)52(39-28-36-11-9-16-45-41-13-5-6-14-42(41)47(30-39)50(36)45)37-24-22-32(23-25-37)35-21-20-34-19-18-33-10-3-4-12-40(33)46(34)29-35/h3-31H,1-2H3
InChIKeyQJSJIGZKNRAEID-UHFFFAOYSA-N
MW661.85 g/mol
LogP14.24
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine (PubChem CID 169277528) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine
PubChem CID169277528
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3cc4c5c(cccc5c3)-c3ccccc3-4)cc21
InChIInChI=1S/C51H35N/c1-51(2)48-17-8-7-15-43(48)44-27-26-38(31-49(44)51)52(39-28-36-11-9-16-45-41-13-5-6-14-42(41)47(30-39)50(36)45)37-24-22-32(23-25-37)35-21-20-34-19-18-33-10-3-4-12-40(33)46(34)29-35/h3-31H,1-2H3
InChIKeyQJSJIGZKNRAEID-UHFFFAOYSA-N
XLogP14.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 514.24
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

9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
N-(4-chrysen-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 170139377
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412224
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
11,11,12,12-tetramethyl-N-phenanthren-3-yl-N-(4-phenylphenyl)indeno[2,1-a]fluoren-2-amine
CID 118122816
8,8-dimethyl-N-naphthalen-2-yl-16-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 118633477
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
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine (CID 169277528) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccc6ccccc6c5c4)cc3)c3cc4c5c(cccc5c3)-c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine?
The InChIKey is QJSJIGZKNRAEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-51(2)48-17-8-7-15-43(48)44-27-26-38(31-49(44)51)52(39-28-36-11-9-16-45-41-13-5-6-14-42(41)47(30-39)50(36)45)37-24-22-32(23-25-37)35-21-20-34-19-18-33-10-3-4-12-40(33)46(34)29-35/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine has a molecular weight of 661.85 g/mol, XLogP of 14.24, 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)-N-(4-phenanthren-3-ylphenyl)fluoranthen-2-amine is sourced from PubChem (CID 169277528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).